1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide

C24H31N3O2 — CID 108981678

IUPAC1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3cccc(C)c3C)CC2)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-6-27(7-2)19-11-12-20(17(4)15-19)25-22(28)24(13-14-24)23(29)26-21-10-8-9-16(3)18(21)5/h8-12,15H,6-7,13-14H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyRYVBGORXGIOSLO-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.82
Rot. Bonds7

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

1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981678) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981678
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3cccc(C)c3C)CC2)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-6-27(7-2)19-11-12-20(17(4)15-19)25-22(28)24(13-14-24)23(29)26-21-10-8-9-16(3)18(21)5/h8-12,15H,6-7,13-14H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyRYVBGORXGIOSLO-UHFFFAOYSA-N
XLogP4.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)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'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980933
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970964
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N'-(2,3-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975263
1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982110
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981678) is 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3cccc(C)c3C)CC2)c(C)c1.
What is the InChIKey of 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RYVBGORXGIOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-6-27(7-2)19-11-12-20(17(4)15-19)25-22(28)24(13-14-24)23(29)26-21-10-8-9-16(3)18(21)5/h8-12,15H,6-7,13-14H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).