1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

C23H28N2O2 — CID 109136764

IUPAC1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCCCc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-25(17-19-12-7-4-8-13-19)23(27)21-16-20(21)22(26)24-15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,24,26)
InChIKeyLFUOCGPWWFOCFW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.42
Rot. Bonds9

About 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109136764) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109136764
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCCCc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-25(17-19-12-7-4-8-13-19)23(27)21-16-20(21)22(26)24-15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,24,26)
InChIKeyLFUOCGPWWFOCFW-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
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-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109136757
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138824
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139479
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
1-N,1-N-diethyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138558
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (CID 109136764) is 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCCCc1ccccc1.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LFUOCGPWWFOCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-25(17-19-12-7-4-8-13-19)23(27)21-16-20(21)22(26)24-15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,24,26).
What are the key properties of 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).