(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C21H20N2O4 — CID 124635080

IUPAC(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c(C)c1
InChIInChI=1S/C21H20N2O4/c1-11-9-14(27-3)7-8-16(11)22-20(25)17-19(24)15-6-4-5-13-10-12(2)23(18(13)15)21(17)26/h4-9,12,24H,10H2,1-3H3,(H,22,25)/t12-/m0/s1
InChIKeyCKHYAGMUPSCLAL-LBPRGKRZSA-N
MW364.40 g/mol
LogP3.39
Rot. Bonds3

About (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 124635080) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID124635080
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c(C)c1
InChIInChI=1S/C21H20N2O4/c1-11-9-14(27-3)7-8-16(11)22-20(25)17-19(24)15-6-4-5-13-10-12(2)23(18(13)15)21(17)26/h4-9,12,24H,10H2,1-3H3,(H,22,25)/t12-/m0/s1
InChIKeyCKHYAGMUPSCLAL-LBPRGKRZSA-N
XLogP3.39
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide with MolForge

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-9-hydroxy-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 125145821
methyl 2-[[(2S)-9-hydroxy-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carbonyl]amino]benzoate
CID 125145853
(2R)-9-hydroxy-2-methyl-11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 124635434
(2R)-9-hydroxy-2-methyl-N-[(4-methylphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 99806611
propyl 4-[(9-hydroxy-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carbonyl)amino]benzoate
CID 91901375
(2R)-N-[(4-chlorophenyl)methyl]-9-hydroxy-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 99806605
(2S)-N-[(4-chlorophenyl)methyl]-9-hydroxy-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 99806606
N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 91962579
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 54676962
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878775
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129

Frequently Asked Questions

What is the IUPAC name of (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 124635080) is (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is COc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c(C)c1.
What is the InChIKey of (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is CKHYAGMUPSCLAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-11-9-14(27-3)7-8-16(11)22-20(25)17-19(24)15-6-4-5-13-10-12(2)23(18(13)15)21(17)26/h4-9,12,24H,10H2,1-3H3,(H,22,25)/t12-/m0/s1.
What are the key properties of (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 124635080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).