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

C16H24N2O — CID 66010420

IUPAC3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1CCC(N)C1
InChIInChI=1S/C16H24N2O/c1-3-18(11-13-6-4-5-12(2)9-13)16(19)14-7-8-15(17)10-14/h4-6,9,14-15H,3,7-8,10-11,17H2,1-2H3
InChIKeyIVFVLGDKKCJZDF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.47
Rot. Bonds4

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

3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 66010420) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID66010420
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1CCC(N)C1
InChIInChI=1S/C16H24N2O/c1-3-18(11-13-6-4-5-12(2)9-13)16(19)14-7-8-15(17)10-14/h4-6,9,14-15H,3,7-8,10-11,17H2,1-2H3
InChIKeyIVFVLGDKKCJZDF-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210719
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide (CID 66010420) is 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide is CCN(Cc1cccc(C)c1)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is IVFVLGDKKCJZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(11-13-6-4-5-12(2)9-13)16(19)14-7-8-15(17)10-14/h4-6,9,14-15H,3,7-8,10-11,17H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66010420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).