N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide

C18H20N2O — CID 120569043

IUPACN-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CC1c1ccccc1C
InChIInChI=1S/C18H20N2O/c1-11-5-3-4-6-14(11)15-10-16(15)18(21)20-17-9-13(19)8-7-12(17)2/h3-9,15-16H,10,19H2,1-2H3,(H,20,21)
InChIKeyFBINOYLTKRXFRJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.63
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide

N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 120569043) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID120569043
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CC1c1ccccc1C
InChIInChI=1S/C18H20N2O/c1-11-5-3-4-6-14(11)15-10-16(15)18(21)20-17-9-13(19)8-7-12(17)2/h3-9,15-16H,10,19H2,1-2H3,(H,20,21)
InChIKeyFBINOYLTKRXFRJ-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-methoxyphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119421487
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874
2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 55763153
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 99849422
N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide (CID 120569043) is N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(N)cc1NC(=O)C1CC1c1ccccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FBINOYLTKRXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-5-3-4-6-14(11)15-10-16(15)18(21)20-17-9-13(19)8-7-12(17)2/h3-9,15-16H,10,19H2,1-2H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide?
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-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-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 120569043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).