1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide

C15H22N2O3 — CID 119281351

IUPAC1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(N)CCCC2)c1OC
InChIInChI=1S/C15H22N2O3/c1-19-12-7-5-6-11(13(12)20-2)10-17-14(18)15(16)8-3-4-9-15/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18)
InChIKeyVRPKARDRHNYYLN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide

1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119281351) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119281351
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(N)CCCC2)c1OC
InChIInChI=1S/C15H22N2O3/c1-19-12-7-5-6-11(13(12)20-2)10-17-14(18)15(16)8-3-4-9-15/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18)
InChIKeyVRPKARDRHNYYLN-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
N-[(2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 74250612
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide (CID 119281351) is 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide is COc1cccc(CNC(=O)C2(N)CCCC2)c1OC.
What is the InChIKey of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is VRPKARDRHNYYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-12-7-5-6-11(13(12)20-2)10-17-14(18)15(16)8-3-4-9-15/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119281351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).