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

C12H16N2O3 — CID 65466971

IUPAC1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CC2)c(OC)c1
InChIInChI=1S/C12H16N2O3/c1-16-8-3-4-9(10(7-8)17-2)14-11(15)12(13)5-6-12/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyYSOJRPMPZNCYBL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.13
Rot. Bonds4

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

1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 65466971) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID65466971
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CC2)c(OC)c1
InChIInChI=1S/C12H16N2O3/c1-16-8-3-4-9(10(7-8)17-2)14-11(15)12(13)5-6-12/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyYSOJRPMPZNCYBL-UHFFFAOYSA-N
XLogP1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
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-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
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
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 65466971) is 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(N)CC2)c(OC)c1.
What is the InChIKey of 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is YSOJRPMPZNCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-8-3-4-9(10(7-8)17-2)14-11(15)12(13)5-6-12/h3-4,7H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.13, 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)cyclopropane-1-carboxamide is sourced from PubChem (CID 65466971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).