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

C19H19N3O4 — CID 30378601

IUPACN,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C19H19N3O4/c1-21(2)19(25)13-6-5-7-14(10-13)20-17(23)11-22-15-8-3-4-9-16(15)26-12-18(22)24/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQFYVPOBGKRPSII-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.75
Rot. Bonds4

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

N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide (PubChem CID 30378601) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
PubChem CID30378601
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C19H19N3O4/c1-21(2)19(25)13-6-5-7-14(10-13)20-17(23)11-22-15-8-3-4-9-16(15)26-12-18(22)24/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQFYVPOBGKRPSII-UHFFFAOYSA-N
XLogP1.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
4-[2-(2-ethylanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012300
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51949270
ethyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoate
CID 9228361
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide (CID 30378601) is N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
The InChIKey is QFYVPOBGKRPSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-21(2)19(25)13-6-5-7-14(10-13)20-17(23)11-22-15-8-3-4-9-16(15)26-12-18(22)24/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 30378601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).