N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide

C13H28N4O — CID 111890753

IUPACN-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CC(CC)CC)NCCNC(C)=O
InChIInChI=1S/C13H28N4O/c1-5-12(6-2)10-17-13(14-7-3)16-9-8-15-11(4)18/h12H,5-10H2,1-4H3,(H,15,18)(H2,14,16,17)
InChIKeyRMJMMRVPECVVLW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds8

About N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide

N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide (PubChem CID 111890753) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide
PubChem CID111890753
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CC(CC)CC)NCCNC(C)=O
InChIInChI=1S/C13H28N4O/c1-5-12(6-2)10-17-13(14-7-3)16-9-8-15-11(4)18/h12H,5-10H2,1-4H3,(H,15,18)(H2,14,16,17)
InChIKeyRMJMMRVPECVVLW-UHFFFAOYSA-N
XLogP1.11
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

1-ethyl-2-(2-ethylbutyl)-3-propylguanidine;hydroiodide
CID 111778482
tert-butyl N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]carbamate
CID 111891859
3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111890739
N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide
CID 111890481
N-[2-[[N-ethyl-N'-(2-methoxy-3,3-dimethylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111709932
1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111986929
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111890795
1-ethyl-2-(2-ethylbutyl)-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111987490
1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111891337
1-ethyl-2-(2-ethylbutyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 111891293
1-[4-(diethylamino)butyl]-3-ethyl-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111891560
1-ethyl-2-(2-ethylbutyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111890994

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide (CID 111890753) is N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide is CCN/C(=N\CC(CC)CC)NCCNC(C)=O.
What is the InChIKey of N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The InChIKey is RMJMMRVPECVVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-12(6-2)10-17-13(14-7-3)16-9-8-15-11(4)18/h12H,5-10H2,1-4H3,(H,15,18)(H2,14,16,17).
What are the key properties of N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide?
N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 111890753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).