3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide

C15H22N2O3 — CID 66009354

IUPAC3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCC(N)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-9-6-13(19-2)14(20-3)8-12(9)17-15(18)10-4-5-11(16)7-10/h6,8,10-11H,4-5,7,16H2,1-3H3,(H,17,18)
InChIKeyDLFKULXBZVHIRL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide

3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 66009354) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID66009354
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCC(N)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-9-6-13(19-2)14(20-3)8-12(9)17-15(18)10-4-5-11(16)7-10/h6,8,10-11H,4-5,7,16H2,1-3H3,(H,17,18)
InChIKeyDLFKULXBZVHIRL-UHFFFAOYSA-N
XLogP2.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
CID 66009992
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848920
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
3-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751512
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 56884137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide (CID 66009354) is 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide is COc1cc(C)c(NC(=O)C2CCC(N)C2)cc1OC.
What is the InChIKey of 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is DLFKULXBZVHIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-6-13(19-2)14(20-3)8-12(9)17-15(18)10-4-5-11(16)7-10/h6,8,10-11H,4-5,7,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).