1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide

C13H18N2O3 — CID 81167421

IUPAC1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCC2)c(OC)c1
InChIInChI=1S/C13H18N2O3/c1-17-9-4-5-10(11(8-9)18-2)15-12(16)13(14)6-3-7-13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyUKZYZUGCCMOQLJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds4

About 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide

1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 81167421) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
PubChem CID81167421
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCC2)c(OC)c1
InChIInChI=1S/C13H18N2O3/c1-17-9-4-5-10(11(8-9)18-2)15-12(16)13(14)6-3-7-13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyUKZYZUGCCMOQLJ-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
CID 100784930
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide (CID 81167421) is 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide is COc1ccc(NC(=O)C2(N)CCC2)c(OC)c1.
What is the InChIKey of 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is UKZYZUGCCMOQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-9-4-5-10(11(8-9)18-2)15-12(16)13(14)6-3-7-13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81167421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).