N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C15H20N2O3 — CID 110770380

IUPACN-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCCC(C)NC(=O)Cc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C15H20N2O3/c1-4-10(2)16-14(18)8-11-5-6-13-12(7-11)17(3)15(19)9-20-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyIGTNBKGTDFXSSL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds4

About N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770380) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770380
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCCC(C)NC(=O)Cc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C15H20N2O3/c1-4-10(2)16-14(18)8-11-5-6-13-12(7-11)17(3)15(19)9-20-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyIGTNBKGTDFXSSL-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789967
4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one
CID 82254613
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-oxopropanamide
CID 115175658
4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 110770394
4-methyl-6-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 110805909
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464
4-methyl-6-[(2-oxopropylamino)methyl]-1,4-benzoxazin-3-one
CID 115234746
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
N-(4-cyanophenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770491

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 110770380) is N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CCC(C)NC(=O)Cc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is IGTNBKGTDFXSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-10(2)16-14(18)8-11-5-6-13-12(7-11)17(3)15(19)9-20-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).