2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide

C16H22N2O — CID 61108767

IUPAC2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(C)c1N)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-3-11-18(13-8-4-5-9-13)16(19)14-10-6-7-12(2)15(14)17/h3,6-7,10,13H,1,4-5,8-9,11,17H2,2H3
InChIKeyIUCTUHXZHAQOHB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.15
Rot. Bonds4

About 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide

2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide (PubChem CID 61108767) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
PubChem CID61108767
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(C)c1N)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-3-11-18(13-8-4-5-9-13)16(19)14-10-6-7-12(2)15(14)17/h3,6-7,10,13H,1,4-5,8-9,11,17H2,2H3
InChIKeyIUCTUHXZHAQOHB-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
CID 105380891
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
(3R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 51966524
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide (CID 61108767) is 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(C)c1N)C1CCCC1.
What is the InChIKey of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
The InChIKey is IUCTUHXZHAQOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-11-18(13-8-4-5-9-13)16(19)14-10-6-7-12(2)15(14)17/h3,6-7,10,13H,1,4-5,8-9,11,17H2,2H3.
What are the key properties of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 61108767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).