N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide

C19H19N3O4 — CID 42504871

IUPACN-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2N(C)C1=O
InChIInChI=1S/C19H19N3O4/c1-12-19(25)22(2)15-10-14(8-9-16(15)26-12)21-17(23)11-20-18(24)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
InChIKeySSICLJLOGUOCHS-GFCCVEGCSA-N
MW353.38 g/mol
LogP1.80
Rot. Bonds4

About N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide

N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide (PubChem CID 42504871) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
PubChem CID42504871
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2N(C)C1=O
InChIInChI=1S/C19H19N3O4/c1-12-19(25)22(2)15-10-14(8-9-16(15)26-12)21-17(23)11-20-18(24)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
InChIKeySSICLJLOGUOCHS-GFCCVEGCSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 92612976
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide (CID 42504871) is N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide is C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2N(C)C1=O.
What is the InChIKey of N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is SSICLJLOGUOCHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-19(25)22(2)15-10-14(8-9-16(15)26-12)21-17(23)11-20-18(24)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1.
What are the key properties of N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42504871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).