N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide

C121H176N44 — CID 176528814

IUPACN-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
SMILES[H]/N=C(\C)N/C(N)=N/C([2H])([2H])C([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])([2H])C([2H])c1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1c([2H])c([2H])c([2H])c([2H])c1[2H].[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1c([2H])cc([2H])cc1[2H].[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/C([2H])Cc1ccc([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])Cc1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/CC([2H])c1ccc([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/CC([2H])c1ccc([2H])cc1
InChIInChI=1S/11C11H16N4/c11*1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h11*2-6H,7-8H2,1H3,(H4,12,13,14,15)/i2D,3D,4D,5D,6D,7D,8D;2D,5D,6D,7D,8D;2D,3D,4D,7D2,8D;2D,3D,4D,7D,8D2;2D,3D,4D,7D,8D;2D,7D,8D2;2D,7D,8D;2D,3D,8D;2D,3D,7D;2D,8D;2D,7D
InChIKeyRYSNEROLVQAFKF-HTNSOVOUSA-N
MW2293.33 g/mol
LogP12.44
Rot. Bonds33

About N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide

N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide (PubChem CID 176528814) has the molecular formula C121H176N44 and a molecular weight of 2293.33 g/mol. Its IUPAC name is N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide.

Molecular Properties

Compound NameN-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
PubChem CID176528814
Molecular FormulaC121H176N44
Molecular Weight2293.33 g/mol
Exact Mass2291.80
IUPAC NameN-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
SMILES[H]/N=C(\C)N/C(N)=N/C([2H])([2H])C([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])([2H])C([2H])c1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1c([2H])c([2H])c([2H])c([2H])c1[2H].[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1c([2H])cc([2H])cc1[2H].[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/C([2H])Cc1ccc([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])Cc1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/CC([2H])c1ccc([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/CC([2H])c1ccc([2H])cc1
InChIInChI=1S/11C11H16N4/c11*1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h11*2-6H,7-8H2,1H3,(H4,12,13,14,15)/i2D,3D,4D,5D,6D,7D,8D;2D,5D,6D,7D,8D;2D,3D,4D,7D2,8D;2D,3D,4D,7D,8D2;2D,3D,4D,7D,8D;2D,7D,8D2;2D,7D,8D;2D,3D,8D;2D,3D,7D;2D,8D;2D,7D
InChIKeyRYSNEROLVQAFKF-HTNSOVOUSA-N
XLogP12.44
TPSA816.86 Ų
H-Bond Donors33
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002293.33
LogP ≤ 512.44
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1022

Analyze N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
The IUPAC name of N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide (CID 176528814) is N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide.
What is the SMILES notation for N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
The canonical SMILES for N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide is [H]/N=C(\C)N/C(N)=N/C([2H])([2H])C([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])([2H])C([2H])c1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1c([2H])c([2H])c([2H])c([2H])c1[2H].[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1c([2H])cc([2H])cc1[2H].[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1cc([2H])c([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])C([2H])c1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/C([2H])Cc1ccc([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/C([2H])Cc1ccc([2H])cc1.[H]/N=C(\C)N/C(N)=N/CC([2H])c1ccc([2H])c([2H])c1.[H]/N=C(\C)N/C(N)=N/CC([2H])c1ccc([2H])cc1.
What is the InChIKey of N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
The InChIKey is RYSNEROLVQAFKF-HTNSOVOUSA-N. The full InChI is InChI=1S/11C11H16N4/c11*1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h11*2-6H,7-8H2,1H3,(H4,12,13,14,15)/i2D,3D,4D,5D,6D,7D,8D;2D,5D,6D,7D,8D;2D,3D,4D,7D2,8D;2D,3D,4D,7D,8D2;2D,3D,4D,7D,8D;2D,7D,8D2;2D,7D,8D;2D,3D,8D;2D,3D,7D;2D,8D;2D,7D.
What are the key properties of N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide has a molecular weight of 2293.33 g/mol, XLogP of 12.44, 33 rotatable bonds, 33 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[1-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[2-deuterio-2-(3,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2-dideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,1,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide;N-[N'-[1,2,2-trideuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide is sourced from PubChem (CID 176528814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).