4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide

C18H33N3O2 — CID 119502006

IUPAC4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
SMILESCNCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-19-11-12-20-18(23)15-7-9-16(10-8-15)21-17(22)13-14-5-3-2-4-6-14/h14-16,19H,2-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyOXIKGNZDOSNXIH-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.97
Rot. Bonds7

About 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 119502006) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID119502006
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
SMILESCNCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-19-11-12-20-18(23)15-7-9-16(10-8-15)21-17(22)13-14-5-3-2-4-6-14/h14-16,19H,2-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyOXIKGNZDOSNXIH-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate
CID 60622944
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
CID 91646964
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
CID 119508167
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide (CID 119502006) is 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide is CNCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is OXIKGNZDOSNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-19-11-12-20-18(23)15-7-9-16(10-8-15)21-17(22)13-14-5-3-2-4-6-14/h14-16,19H,2-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119502006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).