2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate

C13H19ClN4O3 — CID 15068516

IUPAC2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate
SMILESCOCCOCCO/C(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN4O3/c1-19-6-7-20-8-9-21-13(16)18-12(15)17-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H4,15,16,17,18)
InChIKeyFOGBKUKAMVREEP-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.28
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate

2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate (PubChem CID 15068516) has the molecular formula C13H19ClN4O3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate
PubChem CID15068516
Molecular FormulaC13H19ClN4O3
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC Name2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate
SMILESCOCCOCCO/C(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN4O3/c1-19-6-7-20-8-9-21-13(16)18-12(15)17-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H4,15,16,17,18)
InChIKeyFOGBKUKAMVREEP-UHFFFAOYSA-N
XLogP1.28
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate (CID 15068516) is 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate is COCCOCCO/C(N)=N/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate?
The InChIKey is FOGBKUKAMVREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O3/c1-19-6-7-20-8-9-21-13(16)18-12(15)17-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H4,15,16,17,18).
What are the key properties of 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate?
2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate has a molecular weight of 314.77 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate is sourced from PubChem (CID 15068516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).