2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide

C17H18N2O4 — CID 757964

IUPAC2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C17H18N2O4/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/h3-9,14H,2,10-11H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyOHZVRTJXAUNXNN-AWEZNQCLSA-N
MW314.34 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 757964) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID757964
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C17H18N2O4/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/h3-9,14H,2,10-11H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyOHZVRTJXAUNXNN-AWEZNQCLSA-N
XLogP2.10
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 110237091
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 46960545
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3267583
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 44777449
N-(furan-2-ylmethyl)-2-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide
CID 7437525
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 757964) is 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide is CC[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O.
What is the InChIKey of 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OHZVRTJXAUNXNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O4/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/h3-9,14H,2,10-11H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 757964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).