N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C16H19NO3 — CID 2956170

IUPACN-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)OC23CCCC3)c1
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-12(9-11)17-15(19)13-10-14(18)20-16(13)7-2-3-8-16/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyCGSFAAFREOQVKX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.81
Rot. Bonds2

About N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 2956170) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID2956170
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)OC23CCCC3)c1
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-12(9-11)17-15(19)13-10-14(18)20-16(13)7-2-3-8-16/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyCGSFAAFREOQVKX-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131892168
(4S)-N-(4-methyl-2-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7290800
(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 35120993
(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 125173720
(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 40520371
N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2921214
(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7343698
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 157017895
(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125168667
6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 20842916
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 2956170) is N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is Cc1cccc(NC(=O)C2CC(=O)OC23CCCC3)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is CGSFAAFREOQVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-5-4-6-12(9-11)17-15(19)13-10-14(18)20-16(13)7-2-3-8-16/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 2956170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).