3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide

C16H21NO2 — CID 14979560

IUPAC3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide
SMILESCN(C)C(=O)C1CCC=C(C(O)c2ccccc2)C1
InChIInChI=1S/C16H21NO2/c1-17(2)16(19)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-5,7-9,14-15,18H,6,10-11H2,1-2H3
InChIKeyYHLWSPGMZDJZMG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.53
Rot. Bonds3

About 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide

3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide (PubChem CID 14979560) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide
PubChem CID14979560
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide
SMILESCN(C)C(=O)C1CCC=C(C(O)c2ccccc2)C1
InChIInChI=1S/C16H21NO2/c1-17(2)16(19)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-5,7-9,14-15,18H,6,10-11H2,1-2H3
InChIKeyYHLWSPGMZDJZMG-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-Hydroxy-3-((E)-3-hydroxy-7-phenyl-hept-1-enyl)-cyclohexyl]-N,N-dimethyl-acetamide
CID 10090758
2-[(1S,3S)-1-hydroxy-3-[(E,3S)-3-hydroxy-7-phenylhept-1-enyl]cyclohexyl]-N,N-dimethylacetamide
CID 71452714
N,N-Diethyl-2-hydroxy-2-phenylacetamide
CID 121583
(3S,4S)-1-(benzyloxy)-3-hexyl-4-[(2S)-2-hydroxytridecyl]azetidin-2-one
CID 24971448
(3R,4R)-1-(benzyloxy)-3-hexyl-4-[(2R)-2-hydroxytridecyl]azetidin-2-one
CID 24971449
(3S,4S)-1-(benzyloxy)-3-hexyl-4-[(2S)-2-hydroxyheptyl]azetidin-2-one
CID 24971452
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
(4R,5R)-5-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 13825991
(4R,5R)-5-((S)-Hydroxy-m-tolyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397897
(4R,5R)-5-((S)-Hydroxy-p-tolyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397902
N-[(1S,2S)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylbenzeneacetamide
CID 15337649
1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]butan-2-one
CID 162971198

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide (CID 14979560) is 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide is CN(C)C(=O)C1CCC=C(C(O)c2ccccc2)C1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide?
The InChIKey is YHLWSPGMZDJZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17(2)16(19)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-5,7-9,14-15,18H,6,10-11H2,1-2H3.
What are the key properties of 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide?
3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-N,N-dimethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 14979560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).