N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C17H21NO3 — CID 2920298

IUPACN-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)OC23CCCCC3)c1
InChIInChI=1S/C17H21NO3/c1-12-6-5-7-13(10-12)18-16(20)14-11-15(19)21-17(14)8-3-2-4-9-17/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,20)
InChIKeyYIOVPOQGAMVRJZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds2

About N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 2920298) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID2920298
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)OC23CCCCC3)c1
InChIInChI=1S/C17H21NO3/c1-12-6-5-7-13(10-12)18-16(20)14-11-15(19)21-17(14)8-3-2-4-9-17/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,20)
InChIKeyYIOVPOQGAMVRJZ-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxaspiro(4.5)decane-4-carboxamide, 2-oxo-N-phenyl-
CID 208038
2-((3,4-Dimethylphenyl)carbamoyl)cyclohexanecarboxylic acid
CID 2732796
3-Furancarboxamide, N-[2,6-bis(1-methylethyl)phe
CID 9930168
7,7-Dimethyl-N-(2-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 2928411
2-Benzyl-N-(4-fluoro-phenyl)-succinamic acid
CID 3133541
2-oxo-N-phenyl-5-propyltetrahydro-3-furancarboxamide
CID 4523608
4-Oxo-3-(tetrahydrofuran-2-yl)-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid
CID 2907936
7,7-dimethyl-N-(4-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 2928985
4-Anilino-2-benzyl-4-oxobutanoic acid
CID 4521468
Ethyl 2-cyclohexyl-3-[(3-methylphenyl)amino]-3-oxopropanoate
CID 2836833
2-[(4-Ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856357
Ethyl 2-cyclohexyl-3-[(4-methylphenyl)amino]-3-oxopropanoate
CID 2884924

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 2920298) is N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is Cc1cccc(NC(=O)C2CC(=O)OC23CCCCC3)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is YIOVPOQGAMVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-6-5-7-13(10-12)18-16(20)14-11-15(19)21-17(14)8-3-2-4-9-17/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.20, 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[4.5]decane-4-carboxamide is sourced from PubChem (CID 2920298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).