N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide

C15H21NO2 — CID 115176081

IUPACN-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
SMILESCC(=O)C(=O)N(C)CCc1ccc(C)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-10-6-7-14(12(3)11(10)2)8-9-16(5)15(18)13(4)17/h6-7H,8-9H2,1-5H3
InChIKeyFECXZNBABIGYQU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide

N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide (PubChem CID 115176081) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
PubChem CID115176081
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
SMILESCC(=O)C(=O)N(C)CCc1ccc(C)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-10-6-7-14(12(3)11(10)2)8-9-16(5)15(18)13(4)17/h6-7H,8-9H2,1-5H3
InChIKeyFECXZNBABIGYQU-UHFFFAOYSA-N
XLogP2.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
N-methyl-2-(methylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115152139
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
CID 116845038
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-N-methyl-2-oxopropanamide
CID 115176047
N'-methyl-N'-[2-(2,3,4-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195540
4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
CID 115217930
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
CID 115235084
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115176052
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
CID 115192249

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide?
The IUPAC name of N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide (CID 115176081) is N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide is CC(=O)C(=O)N(C)CCc1ccc(C)c(C)c1C.
What is the InChIKey of N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide?
The InChIKey is FECXZNBABIGYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-14(12(3)11(10)2)8-9-16(5)15(18)13(4)17/h6-7H,8-9H2,1-5H3.
What are the key properties of N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide?
N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 115176081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).