N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide

C12H16N2O — CID 43259106

IUPACN-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2C)c(N)c1
InChIInChI=1S/C12H16N2O/c1-7-3-4-11(10(13)5-7)14-12(15)9-6-8(9)2/h3-5,8-9H,6,13H2,1-2H3,(H,14,15)
InChIKeySMBMZHINCJMFBY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds2

About N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide

N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 43259106) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID43259106
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2C)c(N)c1
InChIInChI=1S/C12H16N2O/c1-7-3-4-11(10(13)5-7)14-12(15)9-6-8(9)2/h3-5,8-9H,6,13H2,1-2H3,(H,14,15)
InChIKeySMBMZHINCJMFBY-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
CID 79750828
N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 157443710
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366
5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 61406284
N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
CID 81498745
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide (CID 43259106) is N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is SMBMZHINCJMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-3-4-11(10(13)5-7)14-12(15)9-6-8(9)2/h3-5,8-9H,6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide?
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43259106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).