10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one

C15H25NO4 — CID 78044104

IUPAC10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
SMILESCOC1C=CCCNC(=O)COCC(C)=CC(C)C1O
InChIInChI=1S/C15H25NO4/c1-11-8-12(2)15(18)13(19-3)6-4-5-7-16-14(17)10-20-9-11/h4,6,8,12-13,15,18H,5,7,9-10H2,1-3H3,(H,16,17)
InChIKeyQCBTYESBXHSJGR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.04
Rot. Bonds1

About 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one

10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one (PubChem CID 78044104) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one.

Molecular Properties

Compound Name10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
PubChem CID78044104
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
SMILESCOC1C=CCCNC(=O)COCC(C)=CC(C)C1O
InChIInChI=1S/C15H25NO4/c1-11-8-12(2)15(18)13(19-3)6-4-5-7-16-14(17)10-20-9-11/h4,6,8,12-13,15,18H,5,7,9-10H2,1-3H3,(H,16,17)
InChIKeyQCBTYESBXHSJGR-UHFFFAOYSA-N
XLogP1.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 71236084
(7E,9S,10S,11R,12Z)-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 71236086
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 71236101
1-[(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-4-yl]ethanone
CID 71487962
1-(10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-4-yl)ethanone
CID 77990177
9-Methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 78044106
10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 78044118
N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide
CID 89395615
N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide
CID 66563294
(7E,9S,10S,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 157774302

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one?
The IUPAC name of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one (CID 78044104) is 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one.
What is the SMILES notation for 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one?
The canonical SMILES for 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one is COC1C=CCCNC(=O)COCC(C)=CC(C)C1O.
What is the InChIKey of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one?
The InChIKey is QCBTYESBXHSJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-8-12(2)15(18)13(19-3)6-4-5-7-16-14(17)10-20-9-11/h4,6,8,12-13,15,18H,5,7,9-10H2,1-3H3,(H,16,17).
What are the key properties of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one?
10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one has a molecular weight of 283.37 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one is sourced from PubChem (CID 78044104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).