2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide

C24H30N2O2 — CID 109135109

IUPAC2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)26-24(28)21-13-20(21)23(27)25-14-17-9-6-5-7-10-17/h5-12,15-16,20-21H,13-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyZRPZCOVUXUJBKH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.82
Rot. Bonds7

About 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135109) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135109
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)26-24(28)21-13-20(21)23(27)25-14-17-9-6-5-7-10-17/h5-12,15-16,20-21H,13-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyZRPZCOVUXUJBKH-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086
1-N-(2-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137236
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131764
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130528
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109135109) is 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1CC1C(=O)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is ZRPZCOVUXUJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)26-24(28)21-13-20(21)23(27)25-14-17-9-6-5-7-10-17/h5-12,15-16,20-21H,13-14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).