N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C17H27NO2 — CID 16616544

IUPACN-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C17H27NO2/c19-16-12-6-5-7-13(16)11-14(10-12)17(20)18-15-8-3-1-2-4-9-15/h12-15H,1-11H2,(H,18,20)
InChIKeyDUAVRDXWLGZZKL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.22
Rot. Bonds2

About N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 16616544) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID16616544
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C17H27NO2/c19-16-12-6-5-7-13(16)11-14(10-12)17(20)18-15-8-3-1-2-4-9-15/h12-15H,1-11H2,(H,18,20)
InChIKeyDUAVRDXWLGZZKL-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclodecylcyclododecanecarboxamide
CID 135182352
9-oxo-N-[4-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]but-2-ynyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 167908810
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclopropylcycloheptanecarboxamide
CID 62778853
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98289017
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 16616544) is N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(NC1CCCCCC1)C1CC2CCCC(C1)C2=O.
What is the InChIKey of N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is DUAVRDXWLGZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16-12-6-5-7-13(16)11-14(10-12)17(20)18-15-8-3-1-2-4-9-15/h12-15H,1-11H2,(H,18,20).
What are the key properties of N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 16616544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).