1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide

C18H20N2O — CID 99706775

IUPAC1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C18H20N2O/c1-12-3-4-13(2)16(11-12)20-17(21)18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyUTAXFVFINAMZEA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 99706775) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID99706775
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C18H20N2O/c1-12-3-4-13(2)16(11-12)20-17(21)18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyUTAXFVFINAMZEA-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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

1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
CID 115913894
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 107585399
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
1-(4-aminophenyl)-N-(2-bromo-5-chlorophenyl)cyclopropane-1-carboxamide
CID 115913859
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide (CID 99706775) is 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is UTAXFVFINAMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-3-4-13(2)16(11-12)20-17(21)18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99706775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).