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

C20H28N2O2 — CID 108977110

IUPAC1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c23-18(21-15-12-16-8-4-3-5-9-16)20(13-14-20)19(24)22-17-10-6-1-2-7-11-17/h3-5,8-9,17H,1-2,6-7,10-15H2,(H,21,23)(H,22,24)
InChIKeyWWESUHWENAILOD-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.96
Rot. Bonds6

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

1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977110) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977110
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c23-18(21-15-12-16-8-4-3-5-9-16)20(13-14-20)19(24)22-17-10-6-1-2-7-11-17/h3-5,8-9,17H,1-2,6-7,10-15H2,(H,21,23)(H,22,24)
InChIKeyWWESUHWENAILOD-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.96
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'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
1-N'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
1-(N'-hydroxycarbamimidoyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 76920459
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
1-N'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336

Frequently Asked Questions

What is the IUPAC name of 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108977110) is 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is O=C(NCCc1ccccc1)C1(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WWESUHWENAILOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-18(21-15-12-16-8-4-3-5-9-16)20(13-14-20)19(24)22-17-10-6-1-2-7-11-17/h3-5,8-9,17H,1-2,6-7,10-15H2,(H,21,23)(H,22,24).
What are the key properties of 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).