3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide

C13H18N2O2 — CID 66030664

IUPAC3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-6-4-11(5-7-12)15-13(16)9-2-3-10(14)8-9/h4-7,9-10H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyITMJVIGMJDELTH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide

3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 66030664) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID66030664
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-6-4-11(5-7-12)15-13(16)9-2-3-10(14)8-9/h4-7,9-10H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyITMJVIGMJDELTH-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 66030664) is 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is ITMJVIGMJDELTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-6-4-11(5-7-12)15-13(16)9-2-3-10(14)8-9/h4-7,9-10H,2-3,8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66030664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).