(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide

C16H21NO2 — CID 95986212

IUPAC(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(19,14-10-6-3-7-11-14)12-17-15(18)13-8-4-2-5-9-13/h2-4,6-7,10-11,13,19H,5,8-9,12H2,1H3,(H,17,18)/t13-,16-/m1/s1
InChIKeyCPVBQHPBBHPBED-CZUORRHYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds4

About (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 95986212) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
PubChem CID95986212
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(19,14-10-6-3-7-11-14)12-17-15(18)13-8-4-2-5-9-13/h2-4,6-7,10-11,13,19H,5,8-9,12H2,1H3,(H,17,18)/t13-,16-/m1/s1
InChIKeyCPVBQHPBBHPBED-CZUORRHYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-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

(1S)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986113
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
N-[2-hydroxy-2-(4-phenylphenyl)propyl]cyclohexanecarboxamide
CID 90497506
N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
CID 103772445
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
(1R)-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 129356482
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769502

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide (CID 95986212) is (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide is C[C@@](O)(CNC(=O)[C@@H]1CC=CCC1)c1ccccc1.
What is the InChIKey of (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CPVBQHPBBHPBED-CZUORRHYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(19,14-10-6-3-7-11-14)12-17-15(18)13-8-4-2-5-9-13/h2-4,6-7,10-11,13,19H,5,8-9,12H2,1H3,(H,17,18)/t13-,16-/m1/s1.
What are the key properties of (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95986212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).