6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one

C15H20N2O3 — CID 82339792

IUPAC6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(=O)CN)cc2N(C(C)C)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-13-15(19)17(9(2)3)11-7-10(12(18)8-16)5-6-14(11)20-13/h5-7,9,13H,4,8,16H2,1-3H3
InChIKeyVLMRSZKKPXGFID-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds4

About 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one

6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 82339792) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID82339792
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(=O)CN)cc2N(C(C)C)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-13-15(19)17(9(2)3)11-7-10(12(18)8-16)5-6-14(11)20-13/h5-7,9,13H,4,8,16H2,1-3H3
InChIKeyVLMRSZKKPXGFID-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)acetic acid
CID 82025550
6-propanoyl-2,4-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82022132
4-[2-ethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid
CID 82026270
2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340408
3-methyl-4-(2-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)-4-oxobutanoic acid
CID 15035912
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
5-amino-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82346193
6-(2-chloropropanoyl)-2-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82019447
2-(3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl)acetic acid
CID 82025745
6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339517
4-amino-1-(2-ethyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-one
CID 82340399
methyl 2-[7-(aminomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
CID 82338649

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one (CID 82339792) is 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one is CCC1Oc2ccc(C(=O)CN)cc2N(C(C)C)C1=O.
What is the InChIKey of 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is VLMRSZKKPXGFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-13-15(19)17(9(2)3)11-7-10(12(18)8-16)5-6-14(11)20-13/h5-7,9,13H,4,8,16H2,1-3H3.
What are the key properties of 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one?
6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).