2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H22N2O4 — CID 6542601

IUPAC2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCC[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCCO2)C1=O
InChIInChI=1S/C17H22N2O4/c1-2-14-17(21)19(13-7-3-4-8-15(13)23-14)11-16(20)18-10-12-6-5-9-22-12/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14+/m0/s1
InChIKeyGSQDUCXDUVAFQY-GXTWGEPZSA-N
MW318.37 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 6542601) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID6542601
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCC[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCCO2)C1=O
InChIInChI=1S/C17H22N2O4/c1-2-14-17(21)19(13-7-3-4-8-15(13)23-14)11-16(20)18-10-12-6-5-9-22-12/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14+/m0/s1
InChIKeyGSQDUCXDUVAFQY-GXTWGEPZSA-N
XLogP1.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3155043
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 3240164
3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide
CID 53090957
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379865

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 6542601) is 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CC[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCCO2)C1=O.
What is the InChIKey of 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GSQDUCXDUVAFQY-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-14-17(21)19(13-7-3-4-8-15(13)23-14)11-16(20)18-10-12-6-5-9-22-12/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14+/m0/s1.
What are the key properties of 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 6542601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).