N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide

C17H23NO3 — CID 76945995

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C17H23NO3/c1-21-15-8-4-3-7-14(15)9-10-16(20)18-17(13-19)11-5-2-6-12-17/h3-4,7-10,19H,2,5-6,11-13H2,1H3,(H,18,20)
InChIKeyGBQFZCKZJPVUCU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide

N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 76945995) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID76945995
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C17H23NO3/c1-21-15-8-4-3-7-14(15)9-10-16(20)18-17(13-19)11-5-2-6-12-17/h3-4,7-10,19H,2,5-6,11-13H2,1H3,(H,18,20)
InChIKeyGBQFZCKZJPVUCU-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide 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

1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427653
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62523655
1-[3-(2,3-dimethoxyphenyl)prop-2-enoylamino]cyclohexane-1-carboxylic acid
CID 67179836
1-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 67179833
(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 55825522
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 76945995) is N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is GBQFZCKZJPVUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-15-8-4-3-7-14(15)9-10-16(20)18-17(13-19)11-5-2-6-12-17/h3-4,7-10,19H,2,5-6,11-13H2,1H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 76945995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).