N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide

C15H22N2O2 — CID 107174704

IUPACN-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C15H22N2O2/c1-15(2)8-4-5-11(15)14(18)17-12-7-6-10(16)9-13(12)19-3/h6-7,9,11H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeySOVDABWUECNJMR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.04
Rot. Bonds3

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

N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174704) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174704
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C15H22N2O2/c1-15(2)8-4-5-11(15)14(18)17-12-7-6-10(16)9-13(12)19-3/h6-7,9,11H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeySOVDABWUECNJMR-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176029

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174704) is N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide is COc1cc(N)ccc1NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is SOVDABWUECNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)8-4-5-11(15)14(18)17-12-7-6-10(16)9-13(12)19-3/h6-7,9,11H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).