1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide

C25H32N2O2 — CID 109139840

IUPAC1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H32N2O2/c1-17(2)27(16-18-9-7-6-8-10-18)24(29)22-15-21(22)23(28)26-20-13-11-19(12-14-20)25(3,4)5/h6-14,17,21-22H,15-16H2,1-5H3,(H,26,28)
InChIKeyYOSULKOFQTVRAW-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.00
Rot. Bonds6

About 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109139840) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
PubChem CID109139840
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H32N2O2/c1-17(2)27(16-18-9-7-6-8-10-18)24(29)22-15-21(22)23(28)26-20-13-11-19(12-14-20)25(3,4)5/h6-14,17,21-22H,15-16H2,1-5H3,(H,26,28)
InChIKeyYOSULKOFQTVRAW-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-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-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
1-N-benzyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137207
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142112
1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139811
2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142602
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (CID 109139840) is 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is YOSULKOFQTVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(2)27(16-18-9-7-6-8-10-18)24(29)22-15-21(22)23(28)26-20-13-11-19(12-14-20)25(3,4)5/h6-14,17,21-22H,15-16H2,1-5H3,(H,26,28).
What are the key properties of 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).