1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone

C18H19NO4 — CID 132516430

IUPAC1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
SMILESCOc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)CO2
InChIInChI=1S/C18H19NO4/c1-13-11-23-17-9-8-15(21-2)10-16(17)19(13)18(20)12-22-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyWVTSMAYVZKRMRP-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.89
Rot. Bonds4

About 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone

1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone (PubChem CID 132516430) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
PubChem CID132516430
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
SMILESCOc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)CO2
InChIInChI=1S/C18H19NO4/c1-13-11-23-17-9-8-15(21-2)10-16(17)19(13)18(20)12-22-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyWVTSMAYVZKRMRP-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110729565
1-[(3S)-3-benzyl-6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 101377126
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
CID 95785407
2-(4-methoxyphenoxy)-N-[(2S,4R)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212270
2-(4-methoxyphenoxy)-N-[1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 3313798
2-(4-methoxyphenoxy)-N-[(2R,4S)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212272
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
3-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 152767426
4-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]benzamide
CID 18775347

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone?
The IUPAC name of 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone (CID 132516430) is 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone is COc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)CO2.
What is the InChIKey of 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone?
The InChIKey is WVTSMAYVZKRMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-11-23-17-9-8-15(21-2)10-16(17)19(13)18(20)12-22-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone?
1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone has a molecular weight of 313.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone is sourced from PubChem (CID 132516430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).