1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide

C16H22N2O — CID 105401815

IUPAC1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCCC1c1ccccc1
InChIInChI=1S/C16H22N2O/c17-15(19)16(18-13-9-10-13)11-5-4-8-14(16)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,17,19)
InChIKeyVWLSHDNVRZETOI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds4

About 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide

1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide (PubChem CID 105401815) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide
PubChem CID105401815
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCCC1c1ccccc1
InChIInChI=1S/C16H22N2O/c17-15(19)16(18-13-9-10-13)11-5-4-8-14(16)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,17,19)
InChIKeyVWLSHDNVRZETOI-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401878
1-(cyclopropylamino)-4-phenylcyclohexane-1-carboxamide
CID 60796821
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
1-(cyclopentylamino)-2-methylcyclohexane-1-carboxamide
CID 61001241
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 105401946
ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874
methyl 1-(cyclopropylmethylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401936
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353
1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide (CID 105401815) is 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide is NC(=O)C1(NC2CC2)CCCCC1c1ccccc1.
What is the InChIKey of 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide?
The InChIKey is VWLSHDNVRZETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-15(19)16(18-13-9-10-13)11-5-4-8-14(16)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,17,19).
What are the key properties of 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide?
1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 105401815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).