3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide

C17H24N2O — CID 66009589

IUPAC3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cccc(CN(C(=O)C2CCC(N)C2)C2CC2)c1
InChIInChI=1S/C17H24N2O/c1-12-3-2-4-13(9-12)11-19(16-7-8-16)17(20)14-5-6-15(18)10-14/h2-4,9,14-16H,5-8,10-11,18H2,1H3
InChIKeyQEQREERQSJFVOG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 66009589) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID66009589
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cccc(CN(C(=O)C2CCC(N)C2)C2CC2)c1
InChIInChI=1S/C17H24N2O/c1-12-3-2-4-13(9-12)11-19(16-7-8-16)17(20)14-5-6-15(18)10-14/h2-4,9,14-16H,5-8,10-11,18H2,1H3
InChIKeyQEQREERQSJFVOG-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 155496623
1-(aminomethyl)-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 115452811
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
(1R,3R,4S)-N-cyclopropyl-4-hydroxy-N-[(3-hydroxyphenyl)methyl]-3-methoxycyclohexane-1-carboxamide
CID 135119364
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide (CID 66009589) is 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide is Cc1cccc(CN(C(=O)C2CCC(N)C2)C2CC2)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is QEQREERQSJFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-2-4-13(9-12)11-19(16-7-8-16)17(20)14-5-6-15(18)10-14/h2-4,9,14-16H,5-8,10-11,18H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66009589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).