N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride

C16H23ClN2O2 — CID 119478882

IUPACN-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccccc1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-11-20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13;/h2-6,12-13H,1,7-11,17H2,(H,18,19);1H
InChIKeyPAQSIVNGHBICEM-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.67
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride

N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride (PubChem CID 119478882) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
PubChem CID119478882
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccccc1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-11-20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13;/h2-6,12-13H,1,7-11,17H2,(H,18,19);1H
InChIKeyPAQSIVNGHBICEM-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride 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-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
N-(4-aminocyclohexyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119478339
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride (CID 119478882) is N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccccc1C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is PAQSIVNGHBICEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-2-11-20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13;/h2-6,12-13H,1,7-11,17H2,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 119478882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).