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

C28H35N3O4 — CID 90231295

IUPAC(1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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(=O)NCC4CCCCC4)cc3C[C@@]1(O)[C@@H]1NCC1C2
InChIInChI=1S/C28H35N3O4/c1-16-7-8-20(32)10-22(16)27-11-19-15-29-24(19)28(27,35)12-18-9-21(26(34)31-23(18)13-27)25(33)30-14-17-5-3-2-4-6-17/h7-10,17,19,24,29,32,35H,2-6,11-15H2,1H3,(H,30,33)(H,31,34)/t19?,24-,27-,28-/m1/s1
InChIKeyRMJFKYAUZOSEHU-KAAXDOKVSA-N
MW477.61 g/mol
LogP2.46
Rot. Bonds4

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

(1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide (PubChem CID 90231295) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is (1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
PubChem CID90231295
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name(1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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(=O)NCC4CCCCC4)cc3C[C@@]1(O)[C@@H]1NCC1C2
InChIInChI=1S/C28H35N3O4/c1-16-7-8-20(32)10-22(16)27-11-19-15-29-24(19)28(27,35)12-18-9-21(26(34)31-23(18)13-27)25(33)30-14-17-5-3-2-4-6-17/h7-10,17,19,24,29,32,35H,2-6,11-15H2,1H3,(H,30,33)(H,31,34)/t19?,24-,27-,28-/m1/s1
InChIKeyRMJFKYAUZOSEHU-KAAXDOKVSA-N
XLogP2.46
TPSA114.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide (CID 90231295) is (1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-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(=O)NCC4CCCCC4)cc3C[C@@]1(O)[C@@H]1NCC1C2.
What is the InChIKey of (1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?
The InChIKey is RMJFKYAUZOSEHU-KAAXDOKVSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-16-7-8-20(32)10-22(16)27-11-19-15-29-24(19)28(27,35)12-18-9-21(26(34)31-23(18)13-27)25(33)30-14-17-5-3-2-4-6-17/h7-10,17,19,24,29,32,35H,2-6,11-15H2,1H3,(H,30,33)(H,31,34)/t19?,24-,27-,28-/m1/s1.
What are the key properties of (1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide?
(1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 2.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide is sourced from PubChem (CID 90231295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).