15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one

C26H32N2O3 — CID 110064325

IUPAC15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
SMILESCN1Cc2cccc(c2)CN(C(=O)CCC2CCC2)CCCOc2ccccc2C1=O
InChIInChI=1S/C26H32N2O3/c1-27-18-21-9-5-10-22(17-21)19-28(25(29)14-13-20-7-4-8-20)15-6-16-31-24-12-3-2-11-23(24)26(27)30/h2-3,5,9-12,17,20H,4,6-8,13-16,18-19H2,1H3
InChIKeyOXWNJZNINAENRH-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.65
Rot. Bonds3

About 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one

15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one (PubChem CID 110064325) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one.

Molecular Properties

Compound Name15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
PubChem CID110064325
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
SMILESCN1Cc2cccc(c2)CN(C(=O)CCC2CCC2)CCCOc2ccccc2C1=O
InChIInChI=1S/C26H32N2O3/c1-27-18-21-9-5-10-22(17-21)19-28(25(29)14-13-20-7-4-8-20)15-6-16-31-24-12-3-2-11-23(24)26(27)30/h2-3,5,9-12,17,20H,4,6-8,13-16,18-19H2,1H3
InChIKeyOXWNJZNINAENRH-UHFFFAOYSA-N
XLogP4.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one with MolForge

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Related Compounds

3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
CID 110064519
15-(2,4-dimethylpyrimidine-5-carbonyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
CID 110064323
3-methyl-15-(3-phenylpropyl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
CID 110064521
3-methyl-15-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
CID 133067066
(4S)-4-benzyl-5-(3-cyclopentylpropanoyl)-12-methyl-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-trien-13-one
CID 133079705
(4S)-5-(3-cyclopentylpropanoyl)-10-ethyl-4-(2-methylpropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-one
CID 133079405
1'-(3-cyclopentylpropanoyl)-7-methylspiro[2-oxa-7-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-9,4'-piperidine]-6-one
CID 133066229
(4R)-4-benzyl-5-(3-cyclopentylpropanoyl)-10-ethyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-one
CID 133069676
12-methyl-1'-(4,4,4-trifluorobutanoyl)spiro[2,9-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-4,4'-piperidine]-13-one
CID 110073167
15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one
CID 110064607
N-methyl-2-oxo-12-(4,4,4-trifluorobutanoyl)-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide
CID 110069365
(3S,8R)-9-(3-cyclopentylpropanoyl)-15-ethyl-2-oxa-9,15-diazatricyclo[15.4.0.03,8]henicosa-1(21),17,19-trien-16-one
CID 155994391

Frequently Asked Questions

What is the IUPAC name of 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
The IUPAC name of 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one (CID 110064325) is 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one.
What is the SMILES notation for 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
The canonical SMILES for 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one is CN1Cc2cccc(c2)CN(C(=O)CCC2CCC2)CCCOc2ccccc2C1=O.
What is the InChIKey of 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
The InChIKey is OXWNJZNINAENRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-27-18-21-9-5-10-22(17-21)19-28(25(29)14-13-20-7-4-8-20)15-6-16-31-24-12-3-2-11-23(24)26(27)30/h2-3,5,9-12,17,20H,4,6-8,13-16,18-19H2,1H3.
What are the key properties of 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one has a molecular weight of 420.55 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-cyclobutylpropanoyl)-3-methyl-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one is sourced from PubChem (CID 110064325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).