3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide

C14H18N2O3 — CID 110404296

IUPAC3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCC1Oc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O3/c1-9(2)7-13(17)15-8-12-14(18)16-10-5-3-4-6-11(10)19-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFNZPAXWKDKOOTH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds4

About 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide

3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide (PubChem CID 110404296) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide
PubChem CID110404296
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCC1Oc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O3/c1-9(2)7-13(17)15-8-12-14(18)16-10-5-3-4-6-11(10)19-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFNZPAXWKDKOOTH-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404332
4-methyl-2-[[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]methyl]pentanoic acid
CID 120528611
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032844
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9482274
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9369134
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9185599
N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9226903
3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]butanamide
CID 110783616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide (CID 110404296) is 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide is CC(C)CC(=O)NCC1Oc2ccccc2NC1=O.
What is the InChIKey of 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide?
The InChIKey is FNZPAXWKDKOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)7-13(17)15-8-12-14(18)16-10-5-3-4-6-11(10)19-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide?
3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide has a molecular weight of 262.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide is sourced from PubChem (CID 110404296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).