4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one

C14H20N2O2 — CID 82254613

IUPAC4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one
SMILESCCC(Cc1ccc2c(c1)N(C)C(=O)CO2)NC
InChIInChI=1S/C14H20N2O2/c1-4-11(15-2)7-10-5-6-13-12(8-10)16(3)14(17)9-18-13/h5-6,8,11,15H,4,7,9H2,1-3H3
InChIKeyYEMUJMBCLZUBGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one

4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one (PubChem CID 82254613) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one
PubChem CID82254613
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one
SMILESCCC(Cc1ccc2c(c1)N(C)C(=O)CO2)NC
InChIInChI=1S/C14H20N2O2/c1-4-11(15-2)7-10-5-6-13-12(8-10)16(3)14(17)9-18-13/h5-6,8,11,15H,4,7,9H2,1-3H3
InChIKeyYEMUJMBCLZUBGZ-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-[[methyl(methylaminomethyl)amino]methyl]-1,4-benzoxazin-3-one
CID 115227035
N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770380
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]ethanesulfonamide
CID 110783601
4-methyl-6-[1-(methylamino)butan-2-yl]-1,4-benzoxazin-3-one
CID 116964717
6-[3-(ethylamino)propyl]-4-methyl-1,4-benzoxazin-3-one
CID 96663294
6-(3-aminobutyl)-4-methyl-1,4-benzoxazin-3-one
CID 82475924
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]butanenitrile
CID 115231717
6-[1,2-bis(methylamino)ethyl]-4-methyl-1,4-benzoxazin-3-one
CID 116947950
6-[2-(aminomethylamino)ethyl]-4-methyl-1,4-benzoxazin-3-one
CID 115226078
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789967
4-methyl-6-[(3-oxobutylamino)methyl]-1,4-benzoxazin-3-one
CID 115235687

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one (CID 82254613) is 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one is CCC(Cc1ccc2c(c1)N(C)C(=O)CO2)NC.
What is the InChIKey of 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one?
The InChIKey is YEMUJMBCLZUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-11(15-2)7-10-5-6-13-12(8-10)16(3)14(17)9-18-13/h5-6,8,11,15H,4,7,9H2,1-3H3.
What are the key properties of 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one?
4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 82254613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).