5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol

C17H31NO3 — CID 123370122

IUPAC5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
SMILESCCN1CC=CC(OC)C(O)C(C)C=C(C)COCCC1
InChIInChI=1S/C17H31NO3/c1-5-18-9-6-8-16(20-4)17(19)15(3)12-14(2)13-21-11-7-10-18/h6,8,12,15-17,19H,5,7,9-11,13H2,1-4H3
InChIKeyAKIQYOIEBPXMCN-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.24
Rot. Bonds2

About 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol

5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol (PubChem CID 123370122) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol.

Molecular Properties

Compound Name5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
PubChem CID123370122
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
SMILESCCN1CC=CC(OC)C(O)C(C)C=C(C)COCCC1
InChIInChI=1S/C17H31NO3/c1-5-18-9-6-8-16(20-4)17(19)15(3)12-14(2)13-21-11-7-10-18/h6,8,12,15-17,19H,5,7,9-11,13H2,1-4H3
InChIKeyAKIQYOIEBPXMCN-UHFFFAOYSA-N
XLogP2.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
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)-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236048
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)-9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 71236090
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)-9-methoxy-5,11,13-trimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236102
(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236103
(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
CID 71236104
(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236125
(4S,5R,6Z)-8-[2-(dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 71481269
8-[2-(Dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 77987204
tert-butyl N-[3-(5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy)propyl]-N-prop-2-enylcarbamate
CID 77987289
9-Methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 78044085

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
The IUPAC name of 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol (CID 123370122) is 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol.
What is the SMILES notation for 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
The canonical SMILES for 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol is CCN1CC=CC(OC)C(O)C(C)C=C(C)COCCC1.
What is the InChIKey of 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
The InChIKey is AKIQYOIEBPXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-5-18-9-6-8-16(20-4)17(19)15(3)12-14(2)13-21-11-7-10-18/h6,8,12,15-17,19H,5,7,9-11,13H2,1-4H3.
What are the key properties of 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol has a molecular weight of 297.44 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol is sourced from PubChem (CID 123370122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).