2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one

C14H18N2O3 — CID 82100944

IUPAC2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
SMILESCNC(C)C(=O)c1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C14H18N2O3/c1-8(15-3)13(17)10-5-6-12-11(7-10)16(4)14(18)9(2)19-12/h5-9,15H,1-4H3
InChIKeySCKRSHXFFIKLML-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds3

About 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one

2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one (PubChem CID 82100944) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
PubChem CID82100944
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
SMILESCNC(C)C(=O)c1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C14H18N2O3/c1-8(15-3)13(17)10-5-6-12-11(7-10)16(4)14(18)9(2)19-12/h5-9,15H,1-4H3
InChIKeySCKRSHXFFIKLML-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100941
(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
2,4-dimethyl-6-[(propan-2-ylamino)methyl]-1,4-benzoxazin-3-one
CID 82480298
5-methyl-7-[2-(methylamino)propanoyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501038
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110683186
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
6-(2-chloropropanoyl)-2-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82019447
6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82339635
2-[1-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 23408856

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one (CID 82100944) is 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one is CNC(C)C(=O)c1ccc2c(c1)N(C)C(=O)C(C)O2.
What is the InChIKey of 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one?
The InChIKey is SCKRSHXFFIKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(15-3)13(17)10-5-6-12-11(7-10)16(4)14(18)9(2)19-12/h5-9,15H,1-4H3.
What are the key properties of 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one?
2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 82100944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).