4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide

C17H24N2O — CID 79860273

IUPAC4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-12-18-16(20)13-7-9-14(10-8-13)19-15-6-5-11-17(15,2)3/h4,7-10,15,19H,1,5-6,11-12H2,2-3H3,(H,18,20)
InChIKeyIMECUADRNDNSHI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.59
Rot. Bonds5

About 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide

4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide (PubChem CID 79860273) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
PubChem CID79860273
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-12-18-16(20)13-7-9-14(10-8-13)19-15-6-5-11-17(15,2)3/h4,7-10,15,19H,1,5-6,11-12H2,2-3H3,(H,18,20)
InChIKeyIMECUADRNDNSHI-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97022282
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 62976548
propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79863937
N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
CID 155945860
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-prop-2-enylbenzamide
CID 82823800
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373
4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 60933489
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
CID 119740942
3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
CID 79864777
3-cyclohexyl-3-methyl-4-oxo-4-[4-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 119107635

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide (CID 79860273) is 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC2CCCC2(C)C)cc1.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is IMECUADRNDNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-12-18-16(20)13-7-9-14(10-8-13)19-15-6-5-11-17(15,2)3/h4,7-10,15,19H,1,5-6,11-12H2,2-3H3,(H,18,20).
What are the key properties of 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide?
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 272.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 79860273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).