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

C23H29N3O2 — CID 108980933

IUPAC1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C)cc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-5-26(6-2)19-11-12-20(17(4)15-19)25-22(28)23(13-14-23)21(27)24-18-9-7-16(3)8-10-18/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyMDHXFEHGABZOJP-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.51
Rot. Bonds7

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

1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980933) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980933
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C)cc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-5-26(6-2)19-11-12-20(17(4)15-19)25-22(28)23(13-14-23)21(27)24-18-9-7-16(3)8-10-18/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyMDHXFEHGABZOJP-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.51
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'}

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Related Compounds

1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982110
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970964
1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981678
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981261
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061
1-N'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
N-[4-(diethylamino)phenyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80598069
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980933) is 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C)cc3)CC2)c(C)c1.
What is the InChIKey of 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MDHXFEHGABZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-26(6-2)19-11-12-20(17(4)15-19)25-22(28)23(13-14-23)21(27)24-18-9-7-16(3)8-10-18/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.51, 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-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).