(3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide

C19H19N3O4 — CID 40975590

IUPAC(3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide
SMILESCCNC(=O)N1c2ccccc2OC(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O4/c1-2-20-19(25)22-14-10-6-7-11-16(14)26-18(24)15(22)12-17(23)21-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,20,25)(H,21,23)/t15-/m1/s1
InChIKeyVTJRKFCTJHCMDY-OAHLLOKOSA-N
MW353.38 g/mol
LogP2.54
Rot. Bonds4

About (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide

(3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide (PubChem CID 40975590) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide
PubChem CID40975590
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide
SMILESCCNC(=O)N1c2ccccc2OC(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O4/c1-2-20-19(25)22-14-10-6-7-11-16(14)26-18(24)15(22)12-17(23)21-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,20,25)(H,21,23)/t15-/m1/s1
InChIKeyVTJRKFCTJHCMDY-OAHLLOKOSA-N
XLogP2.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-4-butanoyl-2-oxo-3H-1,4-benzoxazin-3-yl]-N-phenylacetamide
CID 41287044
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
2-[(2R)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 35042841
N-[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 2892403
2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
CID 136728314
N-(4-fluorophenyl)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53013642
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide?
The IUPAC name of (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide (CID 40975590) is (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide is CCNC(=O)N1c2ccccc2OC(=O)[C@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide?
The InChIKey is VTJRKFCTJHCMDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-20-19(25)22-14-10-6-7-11-16(14)26-18(24)15(22)12-17(23)21-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,20,25)(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide?
(3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-anilino-2-oxoethyl)-N-ethyl-2-oxo-3H-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 40975590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).