19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one

C19H24N2O2 — CID 123806917

IUPAC19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one
SMILESCC1=C(C)C23CCN4CC5=CCOC6CC(=O)N1C2C6C5CC43
InChIInChI=1S/C19H24N2O2/c1-10-11(2)21-16(22)8-14-17-13-7-15-19(10,18(17)21)4-5-20(15)9-12(13)3-6-23-14/h3,13-15,17-18H,4-9H2,1-2H3
InChIKeyXLIQWBOXKAUCNQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds

About 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one

19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one (PubChem CID 123806917) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one.

Molecular Properties

Compound Name19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one
PubChem CID123806917
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one
SMILESCC1=C(C)C23CCN4CC5=CCOC6CC(=O)N1C2C6C5CC43
InChIInChI=1S/C19H24N2O2/c1-10-11(2)21-16(22)8-14-17-13-7-15-19(10,18(17)21)4-5-20(15)9-12(13)3-6-23-14/h3,13-15,17-18H,4-9H2,1-2H3
InChIKeyXLIQWBOXKAUCNQ-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
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 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one?
The IUPAC name of 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one (CID 123806917) is 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one.
What is the SMILES notation for 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one?
The canonical SMILES for 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one is CC1=C(C)C23CCN4CC5=CCOC6CC(=O)N1C2C6C5CC43.
What is the InChIKey of 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one?
The InChIKey is XLIQWBOXKAUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-10-11(2)21-16(22)8-14-17-13-7-15-19(10,18(17)21)4-5-20(15)9-12(13)3-6-23-14/h3,13-15,17-18H,4-9H2,1-2H3.
What are the key properties of 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one?
19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one has a molecular weight of 312.41 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19,20-dimethyl-9-oxa-4,13-diazahexacyclo[11.5.2.01,14.04,18.06,16.010,15]icosa-6,19-dien-12-one is sourced from PubChem (CID 123806917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).