2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide

C21H24N2O4 — CID 96519992

IUPAC2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2
InChIInChI=1S/C21H24N2O4/c1-4-17-21(25)23-16-11-10-14(12-19(16)27-17)13(3)22-20(24)15-8-6-7-9-18(15)26-5-2/h6-13,17H,4-5H2,1-3H3,(H,22,24)(H,23,25)/t13-,17+/m1/s1
InChIKeyWYQNRELONINZBM-DYVFJYSZSA-N
MW368.43 g/mol
LogP3.69
Rot. Bonds6

About 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide

2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide (PubChem CID 96519992) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide
PubChem CID96519992
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2
InChIInChI=1S/C21H24N2O4/c1-4-17-21(25)23-16-11-10-14(12-19(16)27-17)13(3)22-20(24)15-8-6-7-9-18(15)26-5-2/h6-13,17H,4-5H2,1-3H3,(H,22,24)(H,23,25)/t13-,17+/m1/s1
InChIKeyWYQNRELONINZBM-DYVFJYSZSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide with MolForge

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Related Compounds

2-ethoxy-N-[(1R)-1-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide
CID 96519991
N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119806820
(2S)-2-amino-N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-4-methylpentanamide
CID 119806857
N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119806850
4-amino-N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]butanamide
CID 119336842
2-(4-aminophenyl)-N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]acetamide;hydrochloride
CID 119806806
N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide
CID 167767848
5-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122054102
3-[[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethylamino]methyl]benzoic acid
CID 122032510
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]urea
CID 127386032
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 42916620
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide (CID 96519992) is 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide is CCOc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2.
What is the InChIKey of 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide?
The InChIKey is WYQNRELONINZBM-DYVFJYSZSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-17-21(25)23-16-11-10-14(12-19(16)27-17)13(3)22-20(24)15-8-6-7-9-18(15)26-5-2/h6-13,17H,4-5H2,1-3H3,(H,22,24)(H,23,25)/t13-,17+/m1/s1.
What are the key properties of 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide?
2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1R)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide is sourced from PubChem (CID 96519992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).