2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C14H19N3O3 — CID 62836577

IUPAC2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C14H19N3O3/c1-8-12(18)17-10-7-9(5-6-11(10)20-8)16-13(19)14(2,3)15-4/h5-8,15H,1-4H3,(H,16,19)(H,17,18)
InChIKeyAXOPOGOWNIYBPS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 62836577) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID62836577
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C14H19N3O3/c1-8-12(18)17-10-7-9(5-6-11(10)20-8)16-13(19)14(2,3)15-4/h5-8,15H,1-4H3,(H,16,19)(H,17,18)
InChIKeyAXOPOGOWNIYBPS-UHFFFAOYSA-N
XLogP1.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide;hydrochloride
CID 119694614
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
(E)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobut-2-enoic acid
CID 60941117
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82494411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 62836577) is 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is AXOPOGOWNIYBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-12(18)17-10-7-9(5-6-11(10)20-8)16-13(19)14(2,3)15-4/h5-8,15H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 62836577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).