1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide

C22H26N2O2 — CID 108979188

IUPAC1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)NCCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-2-24(19-13-7-4-8-14-19)21(26)22(15-16-22)20(25)23-17-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,2,9,12,15-17H2,1H3,(H,23,25)
InChIKeyBEXWUJSBPWGZOA-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.57
Rot. Bonds8

About 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide

1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979188) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979188
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)NCCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-2-24(19-13-7-4-8-14-19)21(26)22(15-16-22)20(25)23-17-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,2,9,12,15-17H2,1H3,(H,23,25)
InChIKeyBEXWUJSBPWGZOA-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108975315
1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976958
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981840
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977748
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
1-N-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977960

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide (CID 108979188) is 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide is CCN(C(=O)C1(C(=O)NCCCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BEXWUJSBPWGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-24(19-13-7-4-8-14-19)21(26)22(15-16-22)20(25)23-17-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,2,9,12,15-17H2,1H3,(H,23,25).
What are the key properties of 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).