2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide

C14H18N2O3 — CID 7437484

IUPAC2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-9(2)15-13(17)8-16-11-6-4-5-7-12(11)19-10(3)14(16)18/h4-7,9-10H,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyURKCUAWXNDEWGJ-SNVBAGLBSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds3

About 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide (PubChem CID 7437484) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
PubChem CID7437484
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-9(2)15-13(17)8-16-11-6-4-5-7-12(11)19-10(3)14(16)18/h4-7,9-10H,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyURKCUAWXNDEWGJ-SNVBAGLBSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24620792
N-(dicyclopropylmethyl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 30263890
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
(2R,3S)-2-methyl-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 125153283
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119136626
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51648652
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132074
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 23410212
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
3-(4-fluorophenyl)-3-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 45338507

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide (CID 7437484) is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21.
What is the InChIKey of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is URKCUAWXNDEWGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)15-13(17)8-16-11-6-4-5-7-12(11)19-10(3)14(16)18/h4-7,9-10H,8H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7437484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).