1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide

C17H26N2O3 — CID 119319826

IUPAC1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CC(C)NC(=O)C2(N)CCCC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12(19-16(20)17(18)8-4-5-9-17)10-13-6-7-14(21-2)15(11-13)22-3/h6-7,11-12H,4-5,8-10,18H2,1-3H3,(H,19,20)
InChIKeyOPZLDVIFFWRPDX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.02
Rot. Bonds6

About 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide

1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide (PubChem CID 119319826) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
PubChem CID119319826
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CC(C)NC(=O)C2(N)CCCC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12(19-16(20)17(18)8-4-5-9-17)10-13-6-7-14(21-2)15(11-13)22-3/h6-7,11-12H,4-5,8-10,18H2,1-3H3,(H,19,20)
InChIKeyOPZLDVIFFWRPDX-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119341116
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119295658
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide
CID 167778784
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119777153
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide (CID 119319826) is 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide is COc1ccc(CC(C)NC(=O)C2(N)CCCC2)cc1OC.
What is the InChIKey of 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is OPZLDVIFFWRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(19-16(20)17(18)8-4-5-9-17)10-13-6-7-14(21-2)15(11-13)22-3/h6-7,11-12H,4-5,8-10,18H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119319826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).