6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one

C15H20N2O3 — CID 82339635

IUPAC6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCC(N)C(=O)c1ccc2c(c1)N(C)C(=O)C(C(C)C)O2
InChIInChI=1S/C15H20N2O3/c1-8(2)14-15(19)17(4)11-7-10(13(18)9(3)16)5-6-12(11)20-14/h5-9,14H,16H2,1-4H3
InChIKeyHCTMVAFRZWPDTJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds3

About 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one

6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 82339635) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID82339635
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCC(N)C(=O)c1ccc2c(c1)N(C)C(=O)C(C(C)C)O2
InChIInChI=1S/C15H20N2O3/c1-8(2)14-15(19)17(4)11-7-10(13(18)9(3)16)5-6-12(11)20-14/h5-9,14H,16H2,1-4H3
InChIKeyHCTMVAFRZWPDTJ-UHFFFAOYSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100941
6-(2-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339518
2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100944
2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 82022125
2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
6-(2-aminopropanoyl)-2-methyl-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82339948
2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340460
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
6-propanoyl-2,4-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82022132
6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 11658613
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one (CID 82339635) is 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one is CC(N)C(=O)c1ccc2c(c1)N(C)C(=O)C(C(C)C)O2.
What is the InChIKey of 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is HCTMVAFRZWPDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-8(2)14-15(19)17(4)11-7-10(13(18)9(3)16)5-6-12(11)20-14/h5-9,14H,16H2,1-4H3.
What are the key properties of 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).