(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione

C21H35NO3 — CID 142177270

IUPAC(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
SMILESCC1=C\C(C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)C\C=C\1
InChIInChI=1S/C21H35NO3/c1-14-8-7-9-15(2)11-17(4)20(25)21(5,6)18(23)12-19(24)22-13-16(3)10-14/h7-8,10,15-18,23H,9,11-13H2,1-6H3,(H,22,24)/b8-7+,14-10+
InChIKeyCIOQTKCKQGKWRE-ACLLVWJRSA-N
MW349.52 g/mol
LogP3.65
Rot. Bonds

About (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione

(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione (PubChem CID 142177270) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione.

Molecular Properties

Compound Name(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
PubChem CID142177270
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
SMILESCC1=C\C(C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)C\C=C\1
InChIInChI=1S/C21H35NO3/c1-14-8-7-9-15(2)11-17(4)20(25)21(5,6)18(23)12-19(24)22-13-16(3)10-14/h7-8,10,15-18,23H,9,11-13H2,1-6H3,(H,22,24)/b8-7+,14-10+
InChIKeyCIOQTKCKQGKWRE-ACLLVWJRSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione with MolForge

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Related Compounds

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[(7S,8S,8aR)-8-[(5R)-7-(butylamino)-5-hydroxy-3-methyl-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
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N-[(Z)-6-hydroxy-5,7,10-trimethyl-8,12-dioxotridec-9-enyl]-3,4,5-trimethylheptanamide
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(3E)-4-ethenyl-5-ethylhepta-1,3-diene;8-(3-hydroxypropanoylamino)octanoic acid
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N-[(2Z,4Z)-hexa-2,4-dien-3-yl]propan-2-imine;(4S,9S,11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione;propane
CID 142177223
(4S,7R,8S,9S,11E,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177233

Frequently Asked Questions

What is the IUPAC name of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione?
The IUPAC name of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione (CID 142177270) is (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione.
What is the SMILES notation for (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione?
The canonical SMILES for (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione is CC1=C\C(C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)C\C=C\1.
What is the InChIKey of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione?
The InChIKey is CIOQTKCKQGKWRE-ACLLVWJRSA-N. The full InChI is InChI=1S/C21H35NO3/c1-14-8-7-9-15(2)11-17(4)20(25)21(5,6)18(23)12-19(24)22-13-16(3)10-14/h7-8,10,15-18,23H,9,11-13H2,1-6H3,(H,22,24)/b8-7+,14-10+.
What are the key properties of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione?
(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione has a molecular weight of 349.52 g/mol, XLogP of 3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione is sourced from PubChem (CID 142177270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).