10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one

C17H29NO3 — CID 78044107

IUPAC10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1C=CCCCCC(=O)N(C)CC(C)=CC(C)C1O
InChIInChI=1S/C17H29NO3/c1-13-11-14(2)17(20)15(21-4)9-7-5-6-8-10-16(19)18(3)12-13/h7,9,11,14-15,17,20H,5-6,8,10,12H2,1-4H3
InChIKeyIWUAEBUWJXQJBZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.53
Rot. Bonds1

About 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one

10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one (PubChem CID 78044107) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one.

Molecular Properties

Compound Name10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
PubChem CID78044107
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1C=CCCCCC(=O)N(C)CC(C)=CC(C)C1O
InChIInChI=1S/C17H29NO3/c1-13-11-14(2)17(20)15(21-4)9-7-5-6-8-10-16(19)18(3)12-13/h7,9,11,14-15,17,20H,5-6,8,10,12H2,1-4H3
InChIKeyIWUAEBUWJXQJBZ-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-azacyclotetradeca-7,12-dien-2-one
CID 11300518
(7E,9S,10S,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58516352
(7E,9S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58811357
(7E,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 67992691
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
(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
CID 71236094
1-[(3Z,5R,6S,7S,8E)-6-hydroxy-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
CID 71236097
(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethyl-1-azacyclotetradeca-4,9-dien-2-one
CID 71236098
(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)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236125
(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 71236131

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The IUPAC name of 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one (CID 78044107) is 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one.
What is the SMILES notation for 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The canonical SMILES for 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one is COC1C=CCCCCC(=O)N(C)CC(C)=CC(C)C1O.
What is the InChIKey of 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The InChIKey is IWUAEBUWJXQJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-11-14(2)17(20)15(21-4)9-7-5-6-8-10-16(19)18(3)12-13/h7,9,11,14-15,17,20H,5-6,8,10,12H2,1-4H3.
What are the key properties of 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one has a molecular weight of 295.42 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 78044107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).