1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

C21H24N2O2 — CID 108980734

IUPAC1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)Nc2ccccc2C)CC1)c1cccc(C)c1
InChIInChI=1S/C21H24N2O2/c1-4-23(17-10-7-8-15(2)14-17)20(25)21(12-13-21)19(24)22-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyRHFOCAZEYFLKLD-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.08
Rot. Bonds5

About 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980734) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980734
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)Nc2ccccc2C)CC1)c1cccc(C)c1
InChIInChI=1S/C21H24N2O2/c1-4-23(17-10-7-8-15(2)14-17)20(25)21(12-13-21)19(24)22-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyRHFOCAZEYFLKLD-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-ethyl-1-N-(3-fluorophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983655
1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981853
1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970969
1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061
1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980653
1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981678
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976541

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980734) is 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is CCN(C(=O)C1(C(=O)Nc2ccccc2C)CC1)c1cccc(C)c1.
What is the InChIKey of 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RHFOCAZEYFLKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-23(17-10-7-8-15(2)14-17)20(25)21(12-13-21)19(24)22-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).