1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

C24H30N2O2 — CID 109139443

IUPAC1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CC1C(=O)NCCCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)20-13-7-8-14-21(20)26-23(28)19-16-18(19)22(27)25-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,18-19H,9,12,15-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLTVVTGACUYWIAN-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.31
Rot. Bonds7

About 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139443) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139443
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CC1C(=O)NCCCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)20-13-7-8-14-21(20)26-23(28)19-16-18(19)22(27)25-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,18-19H,9,12,15-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLTVVTGACUYWIAN-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139494
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139479
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741
2-N-benzyl-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135080
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
2-N-(2-tert-butylphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142412
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (CID 109139443) is 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)C1CC1C(=O)NCCCc1ccccc1.
What is the InChIKey of 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LTVVTGACUYWIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-24(2,3)20-13-7-8-14-21(20)26-23(28)19-16-18(19)22(27)25-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,18-19H,9,12,15-16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).