1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone

C17H29NO4 — CID 78044090

IUPAC1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone
SMILESCOC1C=CCN(C(C)=O)CCCOCC(C)=CC(C)C1O
InChIInChI=1S/C17H29NO4/c1-13-11-14(2)17(20)16(21-4)7-5-8-18(15(3)19)9-6-10-22-12-13/h5,7,11,14,16-17,20H,6,8-10,12H2,1-4H3
InChIKeyGLIXJEHKCRIKDB-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.77
Rot. Bonds1

About 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone

1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone (PubChem CID 78044090) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone.

Molecular Properties

Compound Name1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone
PubChem CID78044090
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone
SMILESCOC1C=CCN(C(C)=O)CCCOCC(C)=CC(C)C1O
InChIInChI=1S/C17H29NO4/c1-13-11-14(2)17(20)16(21-4)7-5-8-18(15(3)19)9-6-10-22-12-13/h5,7,11,14,16-17,20H,6,8-10,12H2,1-4H3
InChIKeyGLIXJEHKCRIKDB-UHFFFAOYSA-N
XLogP1.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 71236053
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 71236087
1-[(3Z,5R,6S,7S,8E)-6-hydroxy-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
CID 71236097
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 71236101
(7E,9S,10S,11R,12Z)-9-methoxy-5,11,13-trimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236102
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
tert-butyl N-[3-(5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy)propyl]-N-prop-2-enylcarbamate
CID 77987289
1-(10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-4-yl)ethanone
CID 77990177
10-Hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 78044107
1-(6-Hydroxy-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-1-yl)ethanone
CID 78044114
10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 78044118
9-Methoxy-5,11,13-trimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 78044119

Frequently Asked Questions

What is the IUPAC name of 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone?
The IUPAC name of 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone (CID 78044090) is 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone.
What is the SMILES notation for 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone?
The canonical SMILES for 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone is COC1C=CCN(C(C)=O)CCCOCC(C)=CC(C)C1O.
What is the InChIKey of 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone?
The InChIKey is GLIXJEHKCRIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-13-11-14(2)17(20)16(21-4)7-5-8-18(15(3)19)9-6-10-22-12-13/h5,7,11,14,16-17,20H,6,8-10,12H2,1-4H3.
What are the key properties of 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone?
1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone has a molecular weight of 311.42 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone is sourced from PubChem (CID 78044090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).