(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

C21H20N2O3 — CID 125145821

IUPAC(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
SMILESCc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c(C)c1
InChIInChI=1S/C21H20N2O3/c1-11-7-8-16(12(2)9-11)22-20(25)17-19(24)15-6-4-5-14-10-13(3)23(18(14)15)21(17)26/h4-9,13,24H,10H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyBADOKBLEVNPBGC-CYBMUJFWSA-N
MW348.40 g/mol
LogP3.69
Rot. Bonds2

About (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

(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 (PubChem CID 125145821) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125145821
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(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
SMILESCc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c(C)c1
InChIInChI=1S/C21H20N2O3/c1-11-7-8-16(12(2)9-11)22-20(25)17-19(24)15-6-4-5-14-10-13(3)23(18(14)15)21(17)26/h4-9,13,24H,10H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyBADOKBLEVNPBGC-CYBMUJFWSA-N
XLogP3.69
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(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
9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 56851533
methyl 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 91901373
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
(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
(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
N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 171999865
1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide
CID 14901316
N-(2-chlorophenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 54710508

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c(C)c1.
What is the InChIKey of (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?
The InChIKey is BADOKBLEVNPBGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-11-7-8-16(12(2)9-11)22-20(25)17-19(24)15-6-4-5-14-10-13(3)23(18(14)15)21(17)26/h4-9,13,24H,10H2,1-3H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 348.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125145821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).