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

C16H22N2O3 — CID 82100941

IUPAC2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
SMILESCC(C)NC(C)C(=O)c1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C16H22N2O3/c1-9(2)17-10(3)15(19)12-6-7-14-13(8-12)18(5)16(20)11(4)21-14/h6-11,17H,1-5H3
InChIKeyZDXDDMIAQAZBFO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.00
Rot. Bonds4

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

2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one (PubChem CID 82100941) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
PubChem CID82100941
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
SMILESCC(C)NC(C)C(=O)c1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C16H22N2O3/c1-9(2)17-10(3)15(19)12-6-7-14-13(8-12)18(5)16(20)11(4)21-14/h6-11,17H,1-5H3
InChIKeyZDXDDMIAQAZBFO-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100944
(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-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82339635
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
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
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110683186
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one (CID 82100941) is 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one is CC(C)NC(C)C(=O)c1ccc2c(c1)N(C)C(=O)C(C)O2.
What is the InChIKey of 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one?
The InChIKey is ZDXDDMIAQAZBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(2)17-10(3)15(19)12-6-7-14-13(8-12)18(5)16(20)11(4)21-14/h6-11,17H,1-5H3.
What are the key properties of 2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one?
2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one has a molecular weight of 290.36 g/mol, XLogP of 2.00, 4 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-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 82100941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).