N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

C16H24N2O — CID 107174844

IUPACN-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCC2(C)C)cc1N
InChIInChI=1S/C16H24N2O/c1-4-11-7-8-12(10-14(11)17)18-15(19)13-6-5-9-16(13,2)3/h7-8,10,13H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeyCYHQVCCAFORRKP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.60
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174844) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174844
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCC2(C)C)cc1N
InChIInChI=1S/C16H24N2O/c1-4-11-7-8-12(10-14(11)17)18-15(19)13-6-5-9-16(13,2)3/h7-8,10,13H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeyCYHQVCCAFORRKP-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182775
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176079
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181364
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184297

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174844) is N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is CCc1ccc(NC(=O)C2CCCC2(C)C)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is CYHQVCCAFORRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-11-7-8-12(10-14(11)17)18-15(19)13-6-5-9-16(13,2)3/h7-8,10,13H,4-6,9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).