N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide

C17H23NO3 — CID 106364464

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C17H23NO3/c1-2-11-21-16-10-6-4-8-14(16)17(20)18-15-9-5-3-7-13(15)12-19/h2,4,6,8,10,13,15,19H,1,3,5,7,9,11-12H2,(H,18,20)
InChIKeyKXFYMXUYKNGRLQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide

N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide (PubChem CID 106364464) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
PubChem CID106364464
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C17H23NO3/c1-2-11-21-16-10-6-4-8-14(16)17(20)18-15-9-5-3-7-13(15)12-19/h2,4,6,8,10,13,15,19H,1,3,5,7,9,11-12H2,(H,18,20)
InChIKeyKXFYMXUYKNGRLQ-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide 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

N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide (CID 106364464) is N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide?
The InChIKey is KXFYMXUYKNGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-11-21-16-10-6-4-8-14(16)17(20)18-15-9-5-3-7-13(15)12-19/h2,4,6,8,10,13,15,19H,1,3,5,7,9,11-12H2,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide has a molecular weight of 289.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 106364464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).