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

C22H25N3O4 — CID 90231341

IUPAC(1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
SMILESCc1ccc(O)cc1[C@@]12Cc3[nH]c(=O)c(C(N)=O)cc3C[C@@]1(O)[C@H]1[C@H](CN1C)C2
InChIInChI=1S/C22H25N3O4/c1-11-3-4-14(26)6-16(11)21-7-13-10-25(2)18(13)22(21,29)8-12-5-15(19(23)27)20(28)24-17(12)9-21/h3-6,13,18,26,29H,7-10H2,1-2H3,(H2,23,27)(H,24,28)/t13-,18+,21+,22+/m0/s1
InChIKeyUWSDKVLTJPFFOL-NWBGDUSSSA-N
MW395.46 g/mol
LogP0.59
Rot. Bonds2

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

(1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide (PubChem CID 90231341) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-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,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
PubChem CID90231341
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
SMILESCc1ccc(O)cc1[C@@]12Cc3[nH]c(=O)c(C(N)=O)cc3C[C@@]1(O)[C@H]1[C@H](CN1C)C2
InChIInChI=1S/C22H25N3O4/c1-11-3-4-14(26)6-16(11)21-7-13-10-25(2)18(13)22(21,29)8-12-5-15(19(23)27)20(28)24-17(12)9-21/h3-6,13,18,26,29H,7-10H2,1-2H3,(H2,23,27)(H,24,28)/t13-,18+,21+,22+/m0/s1
InChIKeyUWSDKVLTJPFFOL-NWBGDUSSSA-N
XLogP0.59
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-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,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide (CID 90231341) is (1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-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,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-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,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide is Cc1ccc(O)cc1[C@@]12Cc3[nH]c(=O)c(C(N)=O)cc3C[C@@]1(O)[C@H]1[C@H](CN1C)C2.
What is the InChIKey of (1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?
The InChIKey is UWSDKVLTJPFFOL-NWBGDUSSSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-11-3-4-14(26)6-16(11)21-7-13-10-25(2)18(13)22(21,29)8-12-5-15(19(23)27)20(28)24-17(12)9-21/h3-6,13,18,26,29H,7-10H2,1-2H3,(H2,23,27)(H,24,28)/t13-,18+,21+,22+/m0/s1.
What are the key properties of (1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?
(1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R,14S)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide is sourced from PubChem (CID 90231341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).