1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

C21H24N2O2 — CID 108980753

IUPAC1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C21H24N2O2/c1-4-16-9-6-8-15(3)18(16)23-20(25)21(11-12-21)19(24)22-17-10-5-7-14(2)13-17/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDDBWJSAEYYMLEX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.22
Rot. Bonds5

About 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980753) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980753
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C21H24N2O2/c1-4-16-9-6-8-15(3)18(16)23-20(25)21(11-12-21)19(24)22-17-10-5-7-14(2)13-17/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDDBWJSAEYYMLEX-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(2,5-dimethylphenyl)-1-N'-(2-ethyl-6-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981307
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980795
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970496
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973987

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980753) is 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is CCc1cccc(C)c1NC(=O)C1(C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DDBWJSAEYYMLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-16-9-6-8-15(3)18(16)23-20(25)21(11-12-21)19(24)22-17-10-5-7-14(2)13-17/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).