1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C21H24N2O2 — CID 109135500

IUPAC1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CC2C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-13-4-6-16(7-5-13)12-22-20(24)18-11-19(18)21(25)23-17-9-14(2)8-15(3)10-17/h4-10,18-19H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQFXQHAVIJCOVRC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.50
Rot. Bonds5

About 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135500) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135500
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CC2C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-13-4-6-16(7-5-13)12-22-20(24)18-11-19(18)21(25)23-17-9-14(2)8-15(3)10-17/h4-10,18-19H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQFXQHAVIJCOVRC-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135544
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135543
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
N-[(4-methylphenyl)methyl]-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132193
2-N-(pyridin-4-ylmethyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137238
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135500) is 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is Cc1ccc(CNC(=O)C2CC2C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is QFXQHAVIJCOVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-4-6-16(7-5-13)12-22-20(24)18-11-19(18)21(25)23-17-9-14(2)8-15(3)10-17/h4-10,18-19H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).