(1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide

C24H29N3O4 — CID 90231122

About (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide

(1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide (PubChem CID 90231122) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide.

Molecular Properties

• Compound Name: (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
• PubChem CID: 90231122
• Molecular Formula: C24H29N3O4
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.22
• IUPAC Name: (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
• SMILES: COc1ccc(C)c([C@@]23Cc4c(cc(C(N)=O)c(=O)n4C)C[C@@]2(O)[C@H]2C(CN2C)C3)c1
• InChI: InChI=1S/C24H29N3O4/c1-13-5-6-16(31-4)8-18(13)23-9-15-12-26(2)20(15)24(23,30)10-14-7-17(21(25)28)22(29)27(3)19(14)11-23/h5-8,15,20,30H,9-12H2,1-4H3,(H2,25,28)/t15?,20-,23-,24-/m1/s1
• InChIKey: GXJRPWIZEPNYHT-VIAVUASDSA-N
• XLogP: 0.90
• TPSA: 97.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?

The IUPAC name of (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide (CID 90231122) is (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide.

What is the SMILES notation for (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?

The canonical SMILES for (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide is COc1ccc(C)c([C@@]23Cc4c(cc(C(N)=O)c(=O)n4C)C[C@@]2(O)[C@H]2C(CN2C)C3)c1.

What is the InChIKey of (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?

The InChIKey is GXJRPWIZEPNYHT-VIAVUASDSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-13-5-6-16(31-4)8-18(13)23-9-15-12-26(2)20(15)24(23,30)10-14-7-17(21(25)28)22(29)27(3)19(14)11-23/h5-8,15,20,30H,9-12H2,1-4H3,(H2,25,28)/t15?,20-,23-,24-/m1/s1.

What are the key properties of (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?

(1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,10S,11R)-10-hydroxy-1-(5-methoxy-2-methylphenyl)-4,12-dimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide is sourced from PubChem (CID 90231122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).