1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

C24H30N2O3 — CID 109139859

IUPAC1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-16(2)26(15-18-8-6-5-7-9-18)24(28)22-14-21(22)23(27)25-19-10-12-20(13-11-19)29-17(3)4/h5-13,16-17,21-22H,14-15H2,1-4H3,(H,25,27)
InChIKeyBUTRSEYGEAIZOD-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.49
Rot. Bonds8

About 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139859) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139859
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-16(2)26(15-18-8-6-5-7-9-18)24(28)22-14-21(22)23(27)25-19-10-12-20(13-11-19)29-17(3)4/h5-13,16-17,21-22H,14-15H2,1-4H3,(H,25,27)
InChIKeyBUTRSEYGEAIZOD-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139840
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
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-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143643
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136243
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109139859) is 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2CC2C(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BUTRSEYGEAIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)26(15-18-8-6-5-7-9-18)24(28)22-14-21(22)23(27)25-19-10-12-20(13-11-19)29-17(3)4/h5-13,16-17,21-22H,14-15H2,1-4H3,(H,25,27).
What are the key properties of 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).