N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C18H22N2O3 — CID 43000554

IUPACN-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CC3CCCC(C2)C3=O)c1
InChIInChI=1S/C18H22N2O3/c1-19-17(22)13-6-3-7-15(10-13)20-18(23)14-8-11-4-2-5-12(9-14)16(11)21/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUBFIPPCSJUIBFK-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.38
Rot. Bonds3

About N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 43000554) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID43000554
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CC3CCCC(C2)C3=O)c1
InChIInChI=1S/C18H22N2O3/c1-19-17(22)13-6-3-7-15(10-13)20-18(23)14-8-11-4-2-5-12(9-14)16(11)21/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUBFIPPCSJUIBFK-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 43000554) is N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CNC(=O)c1cccc(NC(=O)C2CC3CCCC(C2)C3=O)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is UBFIPPCSJUIBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19-17(22)13-6-3-7-15(10-13)20-18(23)14-8-11-4-2-5-12(9-14)16(11)21/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 43000554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).