N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C15H20N2O3 — CID 134063240

IUPACN-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCN(C)C(=O)CCN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-4-16(3)14(18)9-10-17-12-7-5-6-8-13(12)20-11(2)15(17)19/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLXBMUATXKWNPHW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds4

About N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 134063240) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID134063240
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCN(C)C(=O)CCN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-4-16(3)14(18)9-10-17-12-7-5-6-8-13(12)20-11(2)15(17)19/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLXBMUATXKWNPHW-UHFFFAOYSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119583899
N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 60618992
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 18111690
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
2-methyl-5-[[methyl-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222601
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-[cyclobutyl-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]acetic acid
CID 138005418
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 96517602
4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 51264814
(2R)-4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 27007130
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
2-methyl-4-(2-oxobutyl)-1,4-benzoxazin-3-one
CID 62038277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 134063240) is N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is CCN(C)C(=O)CCN1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is LXBMUATXKWNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-16(3)14(18)9-10-17-12-7-5-6-8-13(12)20-11(2)15(17)19/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 134063240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).