2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide

C12H16N2O3 — CID 114997065

IUPAC2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2N)c1
InChIInChI=1S/C12H16N2O3/c1-16-7-3-4-11(17-2)10(5-7)14-12(15)8-6-9(8)13/h3-5,8-9H,6,13H2,1-2H3,(H,14,15)
InChIKeyNDAQHZNABQHMKP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide

2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 114997065) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID114997065
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2N)c1
InChIInChI=1S/C12H16N2O3/c1-16-7-3-4-11(17-2)10(5-7)14-12(15)8-6-9(8)13/h3-5,8-9H,6,13H2,1-2H3,(H,14,15)
InChIKeyNDAQHZNABQHMKP-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
N-(2,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368854
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137764
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 114997065) is 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(OC)c(NC(=O)C2CC2N)c1.
What is the InChIKey of 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is NDAQHZNABQHMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-7-3-4-11(17-2)10(5-7)14-12(15)8-6-9(8)13/h3-5,8-9H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide?
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114997065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).