N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide

C18H19N3O3 — CID 167790240

IUPACN-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide
SMILESCC(Nc1cccc2c1NC(=O)CO2)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-12(18(23)21(2)13-7-4-3-5-8-13)19-14-9-6-10-15-17(14)20-16(22)11-24-15/h3-10,12,19H,11H2,1-2H3,(H,20,22)
InChIKeyCEHQDBZAIKSLKL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide

N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide (PubChem CID 167790240) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide
PubChem CID167790240
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide
SMILESCC(Nc1cccc2c1NC(=O)CO2)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-12(18(23)21(2)13-7-4-3-5-8-13)19-14-9-6-10-15-17(14)20-16(22)11-24-15/h3-10,12,19H,11H2,1-2H3,(H,20,22)
InChIKeyCEHQDBZAIKSLKL-UHFFFAOYSA-N
XLogP2.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 110713165
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
CID 110699795
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
CID 166211679
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699703
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713222
N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 118138222
3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 154768927
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-5-yl)furan-2-carboxamide
CID 110742113
5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115152304

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide?
The IUPAC name of N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide (CID 167790240) is N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide?
The canonical SMILES for N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide is CC(Nc1cccc2c1NC(=O)CO2)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide?
The InChIKey is CEHQDBZAIKSLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(18(23)21(2)13-7-4-3-5-8-13)19-14-9-6-10-15-17(14)20-16(22)11-24-15/h3-10,12,19H,11H2,1-2H3,(H,20,22).
What are the key properties of N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide?
N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 167790240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).