2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C12H14N2O4 — CID 91351368

IUPAC2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCOC(C)(C(N)=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H14N2O4/c1-12(17-2,11(13)16)7-3-4-9-8(5-7)14-10(15)6-18-9/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyONHCXZOVWCMGFD-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.36
Rot. Bonds3

About 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 91351368) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID91351368
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCOC(C)(C(N)=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H14N2O4/c1-12(17-2,11(13)16)7-3-4-9-8(5-7)14-10(15)6-18-9/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyONHCXZOVWCMGFD-UHFFFAOYSA-N
XLogP0.36
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,1-difluoroethyl)-4H-1,4-benzoxazin-3-one
CID 84679492
3-amino-3-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoic acid
CID 82480797
6-(2-methyl-1-sulfanylpropan-2-yl)-4H-1,4-benzoxazin-3-one
CID 116866482
N-[2-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamoyl bromide
CID 115194266
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
CID 17233891
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
methyl 1-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxylate
CID 116964003
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]acetate
CID 60811784
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 91351368) is 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is COC(C)(C(N)=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is ONHCXZOVWCMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(17-2,11(13)16)7-3-4-9-8(5-7)14-10(15)6-18-9/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 250.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 91351368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).