1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide

C24H31N3O2 — CID 108982110

IUPAC1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-6-27(7-2)20-10-8-19(9-11-20)25-22(28)24(12-13-24)23(29)26-21-17(4)14-16(3)15-18(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyNGYGCIALSZDFIF-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.82
Rot. Bonds7

About 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982110) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982110
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-6-27(7-2)20-10-8-19(9-11-20)25-22(28)24(12-13-24)23(29)26-21-17(4)14-16(3)15-18(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyNGYGCIALSZDFIF-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'}

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Related Compounds

1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980933
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982874
methyl 4-[[1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982108
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982114
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970964
N-[4-(diethylamino)phenyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80598069
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095203
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981461
1-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]cyclopropane-1-carboxamide
CID 108980477

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108982110) is 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NGYGCIALSZDFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-6-27(7-2)20-10-8-19(9-11-20)25-22(28)24(12-13-24)23(29)26-21-17(4)14-16(3)15-18(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)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)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).