8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one

C15H26N2O3 — CID 71227701

IUPAC8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
SMILESCOC1C=CCCCNC(=O)NCC(C)=CC(C)C1O
InChIInChI=1S/C15H26N2O3/c1-11-9-12(2)14(18)13(20-3)7-5-4-6-8-16-15(19)17-10-11/h5,7,9,12-14,18H,4,6,8,10H2,1-3H3,(H2,16,17,19)
InChIKeySWBMVZVSKFILRM-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.59
Rot. Bonds1

About 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one

8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one (PubChem CID 71227701) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one.

Molecular Properties

Compound Name8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
PubChem CID71227701
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
SMILESCOC1C=CCCCNC(=O)NCC(C)=CC(C)C1O
InChIInChI=1S/C15H26N2O3/c1-11-9-12(2)14(18)13(20-3)7-5-4-6-8-16-15(19)17-10-11/h5,7,9,12-14,18H,4,6,8,10H2,1-3H3,(H2,16,17,19)
InChIKeySWBMVZVSKFILRM-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one?
The IUPAC name of 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one (CID 71227701) is 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one.
What is the SMILES notation for 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one?
The canonical SMILES for 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one is COC1C=CCCCNC(=O)NCC(C)=CC(C)C1O.
What is the InChIKey of 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one?
The InChIKey is SWBMVZVSKFILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-9-12(2)14(18)13(20-3)7-5-4-6-8-16-15(19)17-10-11/h5,7,9,12-14,18H,4,6,8,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one?
8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one is sourced from PubChem (CID 71227701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).