2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide

C17H22N2O2 — CID 109140677

IUPAC2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16(18-13-8-4-3-5-9-13)14-12-15(14)17(21)19-10-6-1-2-7-11-19/h3-5,8-9,14-15H,1-2,6-7,10-12H2,(H,18,20)
InChIKeyPFWUJYYENNROIR-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.66
Rot. Bonds3

About 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide

2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide (PubChem CID 109140677) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
PubChem CID109140677
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16(18-13-8-4-3-5-9-13)14-12-15(14)17(21)19-10-6-1-2-7-11-19/h3-5,8-9,14-15H,1-2,6-7,10-12H2,(H,18,20)
InChIKeyPFWUJYYENNROIR-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109140690
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
N-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide (CID 109140677) is 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1)C1CC1C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The InChIKey is PFWUJYYENNROIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(18-13-8-4-3-5-9-13)14-12-15(14)17(21)19-10-6-1-2-7-11-19/h3-5,8-9,14-15H,1-2,6-7,10-12H2,(H,18,20).
What are the key properties of 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 109140677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).