N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide

C16H21NO3 — CID 104957272

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H21NO3/c1-2-11-20-15-10-6-3-7-12(15)16(19)17-13-8-4-5-9-14(13)18/h2-3,6-7,10,13-14,18H,1,4-5,8-9,11H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyDWXDYCGILFNNNN-KBPBESRZSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide (PubChem CID 104957272) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
PubChem CID104957272
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H21NO3/c1-2-11-20-15-10-6-3-7-12(15)16(19)17-13-8-4-5-9-14(13)18/h2-3,6-7,10,13-14,18H,1,4-5,8-9,11H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyDWXDYCGILFNNNN-KBPBESRZSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-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-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide (CID 104957272) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide?
The InChIKey is DWXDYCGILFNNNN-KBPBESRZSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-11-20-15-10-6-3-7-12(15)16(19)17-13-8-4-5-9-14(13)18/h2-3,6-7,10,13-14,18H,1,4-5,8-9,11H2,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 104957272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).