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

C20H28N2O2 — CID 109137355

IUPAC1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O2/c23-19(21-13-12-15-8-4-3-5-9-15)17-14-18(17)20(24)22-16-10-6-1-2-7-11-16/h3-5,8-9,16-18H,1-2,6-7,10-14H2,(H,21,23)(H,22,24)
InChIKeyQHTZTUKADSINBZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.82
Rot. Bonds6

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

1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137355) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137355
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O2/c23-19(21-13-12-15-8-4-3-5-9-15)17-14-18(17)20(24)22-16-10-6-1-2-7-11-16/h3-5,8-9,16-18H,1-2,6-7,10-14H2,(H,21,23)(H,22,24)
InChIKeyQHTZTUKADSINBZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977110
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138178
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide (CID 109137355) is 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide is O=C(NCCc1ccccc1)C1CC1C(=O)NC1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is QHTZTUKADSINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(21-13-12-15-8-4-3-5-9-15)17-14-18(17)20(24)22-16-10-6-1-2-7-11-16/h3-5,8-9,16-18H,1-2,6-7,10-14H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).