1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide

C15H22N2O2 — CID 54869116

IUPAC1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-17(14(18)15(16)9-3-4-10-15)11-12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyUCZWYMDKYVAVQR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.93
Rot. Bonds4

About 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide

1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 54869116) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID54869116
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-17(14(18)15(16)9-3-4-10-15)11-12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyUCZWYMDKYVAVQR-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 81171712
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone
CID 110108715
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide (CID 54869116) is 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide is COc1ccc(CN(C)C(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is UCZWYMDKYVAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(14(18)15(16)9-3-4-10-15)11-12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-11,16H2,1-2H3.
What are the key properties of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 54869116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).