(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

C21H24N2O2 — CID 146248658

IUPAC(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
SMILESCCN1CC[C@]23C[C@@]2(CC)c2oncc2CC3(c2ccccc2)C1=O
InChIInChI=1S/C21H24N2O2/c1-3-19-14-20(19)10-11-23(4-2)18(24)21(20,16-8-6-5-7-9-16)12-15-13-22-25-17(15)19/h5-9,13H,3-4,10-12,14H2,1-2H3/t19-,20-,21?/m0/s1
InChIKeyUVEHQMBQJRCQAN-AHTKWCMKSA-N
MW336.44 g/mol
LogP3.46
Rot. Bonds3

About (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

(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 (PubChem CID 146248658) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146248658
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(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
SMILESCCN1CC[C@]23C[C@@]2(CC)c2oncc2CC3(c2ccccc2)C1=O
InChIInChI=1S/C21H24N2O2/c1-3-19-14-20(19)10-11-23(4-2)18(24)21(20,16-8-6-5-7-9-16)12-15-13-22-25-17(15)19/h5-9,13H,3-4,10-12,14H2,1-2H3/t19-,20-,21?/m0/s1
InChIKeyUVEHQMBQJRCQAN-AHTKWCMKSA-N
XLogP3.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(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
(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
(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one
CID 162442142
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
(4aS)-2-ethyl-5,5-dimethyl-8a-phenyl-4,4a-dihydro-3H-isoquinoline-1,6-dione
CID 146248429
(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
CID 40573803
2-ethyl-2-azaspiro[4.4]nonan-1-one
CID 142262093
(4aS,8aS)-2-ethyl-5,5-dimethyl-1,6-dioxo-8a-phenyl-4,4a-dihydro-3H-isoquinoline-7-carbonitrile
CID 146248434
(4aR,8aR)-2-ethyl-5,5-dimethyl-1,6-dioxo-8a-phenyl-4,4a-dihydro-3H-isoquinoline-7-carbonitrile
CID 146248433
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060331
(2-ethyl-2-phenylpiperidin-1-yl)sulfanyl-sulfanylidenephosphanium
CID 173023376

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN1CC[C@]23C[C@@]2(CC)c2oncc2CC3(c2ccccc2)C1=O.
What is the InChIKey of (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?
The InChIKey is UVEHQMBQJRCQAN-AHTKWCMKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-19-14-20(19)10-11-23(4-2)18(24)21(20,16-8-6-5-7-9-16)12-15-13-22-25-17(15)19/h5-9,13H,3-4,10-12,14H2,1-2H3/t19-,20-,21?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 336.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146248658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).