N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide

C17H34N4O — CID 111079277

IUPACN-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
SMILESCCCCCCCC/N=C(\N)NCCC(=O)NC1CCCC1
InChIInChI=1S/C17H34N4O/c1-2-3-4-5-6-9-13-19-17(18)20-14-12-16(22)21-15-10-7-8-11-15/h15H,2-14H2,1H3,(H,21,22)(H3,18,19,20)
InChIKeyDCIGWWAGFMTKFW-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.70
Rot. Bonds11

About N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide

N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide (PubChem CID 111079277) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
PubChem CID111079277
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
SMILESCCCCCCCC/N=C(\N)NCCC(=O)NC1CCCC1
InChIInChI=1S/C17H34N4O/c1-2-3-4-5-6-9-13-19-17(18)20-14-12-16(22)21-15-10-7-8-11-15/h15H,2-14H2,1H3,(H,21,22)(H3,18,19,20)
InChIKeyDCIGWWAGFMTKFW-UHFFFAOYSA-N
XLogP2.70
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.70
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-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
1-cyclohexyl-2-octylguanidine
CID 113337391
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516
N-cyclohexyl-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075434
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075498
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
methyl 3-[(N'-octylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063886
N-cyclobutylhexadecanamide
CID 67041463

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide (CID 111079277) is N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide is CCCCCCCC/N=C(\N)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide?
The InChIKey is DCIGWWAGFMTKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-2-3-4-5-6-9-13-19-17(18)20-14-12-16(22)21-15-10-7-8-11-15/h15H,2-14H2,1H3,(H,21,22)(H3,18,19,20).
What are the key properties of N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide?
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide has a molecular weight of 310.49 g/mol, XLogP of 2.70, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111079277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).