N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C19H22ClNO4 — CID 20861443

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1=C(C)C(=O)OC12CCCCC2
InChIInChI=1S/C19H22ClNO4/c1-11-9-14(15(24-3)10-13(11)20)21-17(22)16-12(2)18(23)25-19(16)7-5-4-6-8-19/h9-10H,4-8H2,1-3H3,(H,21,22)
InChIKeyUGFOULLLOQKPMV-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.17
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861443) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861443
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1=C(C)C(=O)OC12CCCCC2
InChIInChI=1S/C19H22ClNO4/c1-11-9-14(15(24-3)10-13(11)20)21-17(22)16-12(2)18(23)25-19(16)7-5-4-6-8-19/h9-10H,4-8H2,1-3H3,(H,21,22)
InChIKeyUGFOULLLOQKPMV-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-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-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289322
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119341646
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861443) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1=C(C)C(=O)OC12CCCCC2.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is UGFOULLLOQKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-11-9-14(15(24-3)10-13(11)20)21-17(22)16-12(2)18(23)25-19(16)7-5-4-6-8-19/h9-10H,4-8H2,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 363.84 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).