N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide

C17H34N4O — CID 111161669

IUPACN-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
SMILESCCCCCCN/C(=N\C)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C17H34N4O/c1-3-4-5-9-13-19-17(18-2)20-14-12-16(22)21-15-10-7-6-8-11-15/h15H,3-14H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyIXCKFVQYGIMUEW-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.57
Rot. Bonds9

About N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide

N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide (PubChem CID 111161669) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
PubChem CID111161669
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
SMILESCCCCCCN/C(=N\C)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C17H34N4O/c1-3-4-5-9-13-19-17(18-2)20-14-12-16(22)21-15-10-7-6-8-11-15/h15H,3-14H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyIXCKFVQYGIMUEW-UHFFFAOYSA-N
XLogP2.57
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.57
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

N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709
N-(1,1-dioxothiolan-3-yl)-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111161956
N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111692610
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111124554
N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide (CID 111161669) is N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide is CCCCCCN/C(=N\C)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide?
The InChIKey is IXCKFVQYGIMUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-3-4-5-9-13-19-17(18-2)20-14-12-16(22)21-15-10-7-6-8-11-15/h15H,3-14H2,1-2H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide?
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide has a molecular weight of 310.49 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111161669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).