3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide

C18H28N2O2 — CID 119821976

IUPAC3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
SMILESCC(O)CC(CNC(=O)C1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-13(21)10-16(14-6-3-2-4-7-14)12-20-18(22)15-8-5-9-17(19)11-15/h2-4,6-7,13,15-17,21H,5,8-12,19H2,1H3,(H,20,22)
InChIKeyNBIBFMVMSXFMGL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.17
Rot. Bonds6

About 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide

3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide (PubChem CID 119821976) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
PubChem CID119821976
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
SMILESCC(O)CC(CNC(=O)C1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-13(21)10-16(14-6-3-2-4-7-14)12-20-18(22)15-8-5-9-17(19)11-15/h2-4,6-7,13,15-17,21H,5,8-12,19H2,1H3,(H,20,22)
InChIKeyNBIBFMVMSXFMGL-UHFFFAOYSA-N
XLogP2.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
CID 110004037
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 119795763
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide (CID 119821976) is 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide is CC(O)CC(CNC(=O)C1CCCC(N)C1)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide?
The InChIKey is NBIBFMVMSXFMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(21)10-16(14-6-3-2-4-7-14)12-20-18(22)15-8-5-9-17(19)11-15/h2-4,6-7,13,15-17,21H,5,8-12,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide?
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119821976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).