(3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C19H20N2O4 — CID 58373219

IUPAC(3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESC[C@@H]1CCO[C@H]2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12
InChIInChI=1S/C19H20N2O4/c1-13-8-10-24-16-11-20-9-7-15(22)18(17(20)19(23)21(13)16)25-12-14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3/t13-,16+/m1/s1
InChIKeyRKBQZLDTEMFMCE-CJNGLKHVSA-N
MW340.38 g/mol
LogP2.02
Rot. Bonds3

About (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 58373219) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID58373219
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESC[C@@H]1CCO[C@H]2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12
InChIInChI=1S/C19H20N2O4/c1-13-8-10-24-16-11-20-9-7-15(22)18(17(20)19(23)21(13)16)25-12-14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3/t13-,16+/m1/s1
InChIKeyRKBQZLDTEMFMCE-CJNGLKHVSA-N
XLogP2.02
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-{6-[(p-fluorophenyl)methoxy]-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl}ethyl)propionamide
CID 27378104
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 27378090
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-ethylbutanamide
CID 27378094
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)cinnamamide
CID 27378100
methyl (3S,7R)-7-methyl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylate
CID 56651997
(4R,12AS)-7-(benzyloxy)-9-bromo-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-6,8-dione
CID 58373217
(3R)-11-phenylmethoxy-4-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 135001978
5-((4-fluorobenzyl)oxy)-2-(hydroxymethyl)-1-(2-morpholino-2-oxoethyl)pyridin-4(1H)-one
CID 16853824
Ethyl 4-(5-((4-fluorobenzyl)oxy)-1-methyl-4-oxo-1,4-dihydropyridine-2-carbonyl)piperazine-1-carboxylate
CID 42441288
Ethyl 4-{[5-(benzyloxy)-4-hydroxypyridin-2-yl]carbonyl}piperazine-1-carboxylate
CID 42442424
5-((2-fluorobenzyl)oxy)-2-methyl-1-(2-morpholino-2-oxoethyl)pyridin-4(1H)-one
CID 42476122
5-(benzyloxy)-2-(morpholine-4-carbonyl)pyridin-4(1H)-one
CID 52901635

Frequently Asked Questions

What is the IUPAC name of (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 58373219) is (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is C[C@@H]1CCO[C@H]2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12.
What is the InChIKey of (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is RKBQZLDTEMFMCE-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-8-10-24-16-11-20-9-7-15(22)18(17(20)19(23)21(13)16)25-12-14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 340.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 58373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).