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

C16H23ClN2O2 — CID 119478238

IUPACN-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-11-20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14;/h2-4,9-10,13-14H,1,5-8,11,17H2,(H,18,19);1H
InChIKeyBULWBAIJEUWQMC-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.67
Rot. Bonds5

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

N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride (PubChem CID 119478238) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
PubChem CID119478238
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-11-20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14;/h2-4,9-10,13-14H,1,5-8,11,17H2,(H,18,19);1H
InChIKeyBULWBAIJEUWQMC-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'}

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Related Compounds

N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
CID 46588527
N-cyclopentyloxy-4-prop-2-enoxybenzamide
CID 83202037
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride (CID 119478238) is N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccc(C(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is BULWBAIJEUWQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-2-11-20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14;/h2-4,9-10,13-14H,1,5-8,11,17H2,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-4-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)-4-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 119478238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).