(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one

C20H24N2O2 — CID 166820732

IUPAC(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one
SMILESCCN1CCC[C@@]2(C)CC(c3ccccc3)(Cc3cnoc32)C1=O
InChIInChI=1S/C20H24N2O2/c1-3-22-11-7-10-19(2)14-20(18(22)23,16-8-5-4-6-9-16)12-15-13-21-24-17(15)19/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3/t19-,20?/m0/s1
InChIKeyABAXTCHLYUUUGJ-XJDOXCRVSA-N
MW324.42 g/mol
LogP3.46
Rot. Bonds2

About (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one

(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one (PubChem CID 166820732) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one.

Molecular Properties

Compound Name(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one
PubChem CID166820732
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one
SMILESCCN1CCC[C@@]2(C)CC(c3ccccc3)(Cc3cnoc32)C1=O
InChIInChI=1S/C20H24N2O2/c1-3-22-11-7-10-19(2)14-20(18(22)23,16-8-5-4-6-9-16)12-15-13-21-24-17(15)19/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3/t19-,20?/m0/s1
InChIKeyABAXTCHLYUUUGJ-XJDOXCRVSA-N
XLogP3.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one with MolForge

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Related Compounds

(1R,3R)-3,12-diethyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
CID 146248658
(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one
CID 162442142
(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
CID 135194724
1-ethyl-3,3-dimethylpiperidin-2-one
CID 89133568
methane;(1-methylcyclopentyl)benzene
CID 143499824
(4aS)-2-ethyl-5,5-dimethyl-8a-phenyl-4,4a-dihydro-3H-isoquinoline-1,6-dione
CID 146248429
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
2-methyl-2,4-diphenyl-1-azabicyclo[2.2.2]octan-3-one
CID 150783862
2-ethyl-2-azaspiro[4.4]nonan-1-one
CID 142262093
CID 102302966
CID 102302966
4,4-diphenylcyclopentane-1,2-dione
CID 15724710

Frequently Asked Questions

What is the IUPAC name of (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one?
The IUPAC name of (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one (CID 166820732) is (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one.
What is the SMILES notation for (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one?
The canonical SMILES for (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one is CCN1CCC[C@@]2(C)CC(c3ccccc3)(Cc3cnoc32)C1=O.
What is the InChIKey of (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one?
The InChIKey is ABAXTCHLYUUUGJ-XJDOXCRVSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-22-11-7-10-19(2)14-20(18(22)23,16-8-5-4-6-9-16)12-15-13-21-24-17(15)19/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3/t19-,20?/m0/s1.
What are the key properties of (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one?
(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one has a molecular weight of 324.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one is sourced from PubChem (CID 166820732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).