2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide

C13H17N3O3 — CID 82501329

IUPAC2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide
SMILESCC1Oc2ccc(N(C)C(=O)CN)cc2N(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-8-13(18)16(3)10-6-9(4-5-11(10)19-8)15(2)12(17)7-14/h4-6,8H,7,14H2,1-3H3
InChIKeyFTIJQVYMWFLLOT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.35
Rot. Bonds2

About 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide (PubChem CID 82501329) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide
PubChem CID82501329
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide
SMILESCC1Oc2ccc(N(C)C(=O)CN)cc2N(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-8-13(18)16(3)10-6-9(4-5-11(10)19-8)15(2)12(17)7-14/h4-6,8H,7,14H2,1-3H3
InChIKeyFTIJQVYMWFLLOT-UHFFFAOYSA-N
XLogP0.35
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
2,4-dimethyl-6-(oxiran-2-yl)-1,4-benzoxazin-3-one
CID 82472319
6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
(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
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
6-(1-amino-2,2-dimethylpropyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82028541

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide (CID 82501329) is 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide is CC1Oc2ccc(N(C)C(=O)CN)cc2N(C)C1=O.
What is the InChIKey of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide?
The InChIKey is FTIJQVYMWFLLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-13(18)16(3)10-6-9(4-5-11(10)19-8)15(2)12(17)7-14/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide?
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide has a molecular weight of 263.30 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-methylacetamide is sourced from PubChem (CID 82501329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).