1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide

C16H20N2O2 — CID 108970621

IUPAC1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H20N2O2/c19-14(17-11-8-12-4-2-1-3-5-12)16(9-10-16)15(20)18-13-6-7-13/h1-5,13H,6-11H2,(H,17,19)(H,18,20)
InChIKeyWDFSCHKKNMHOCG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.40
Rot. Bonds6

About 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide

1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108970621) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108970621
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H20N2O2/c19-14(17-11-8-12-4-2-1-3-5-12)16(9-10-16)15(20)18-13-6-7-13/h1-5,13H,6-11H2,(H,17,19)(H,18,20)
InChIKeyWDFSCHKKNMHOCG-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977110
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
1-N'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108970621) is 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is O=C(NCCc1ccccc1)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WDFSCHKKNMHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-14(17-11-8-12-4-2-1-3-5-12)16(9-10-16)15(20)18-13-6-7-13/h1-5,13H,6-11H2,(H,17,19)(H,18,20).
What are the key properties of 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).