N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide

C18H20N2O — CID 104756910

IUPACN-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2c2ccccc2)cc1N
InChIInChI=1S/C18H20N2O/c1-11-8-12(2)17(10-16(11)19)20-18(21)15-9-14(15)13-6-4-3-5-7-13/h3-8,10,14-15H,9,19H2,1-2H3,(H,20,21)
InChIKeyZGXKFKZBASIOJS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.63
Rot. Bonds3

About N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 104756910) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID104756910
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2c2ccccc2)cc1N
InChIInChI=1S/C18H20N2O/c1-11-8-12(2)17(10-16(11)19)20-18(21)15-9-14(15)13-6-4-3-5-7-13/h3-8,10,14-15H,9,19H2,1-2H3,(H,20,21)
InChIKeyZGXKFKZBASIOJS-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.63
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-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 157443710
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 104756910) is N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CC2c2ccccc2)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZGXKFKZBASIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-8-12(2)17(10-16(11)19)20-18(21)15-9-14(15)13-6-4-3-5-7-13/h3-8,10,14-15H,9,19H2,1-2H3,(H,20,21).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 104756910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).