2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide

C24H22N2O3 — CID 109141175

IUPAC2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-16-7-9-17(10-8-16)25-23(27)21-15-22(21)24(28)26-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14,21-22H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyPZCFTBMZAISLEQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.00
Rot. Bonds6

About 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141175) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141175
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-16-7-9-17(10-8-16)25-23(27)21-15-22(21)24(28)26-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14,21-22H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyPZCFTBMZAISLEQ-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6S)-6-[(4-phenoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795296
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 4990951
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589
2-N-(4-methoxyphenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140939
(1S,2R,4R,5S,6R,7R)-7-[[4-(4-methylphenoxy)phenyl]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124763086
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90511634
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109141175) is 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PZCFTBMZAISLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-7-9-17(10-8-16)25-23(27)21-15-22(21)24(28)26-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14,21-22H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).