N-(2-ethyl-6-methylphenyl)-4-oxopentanamide

C14H19NO2 — CID 11839711

IUPACN-(2-ethyl-6-methylphenyl)-4-oxopentanamide
SMILESCCc1cccc(C)c1NC(=O)CCC(C)=O
InChIInChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-13(17)9-8-11(3)16/h5-7H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyAMKPIROMHIQKAN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-4-oxopentanamide

N-(2-ethyl-6-methylphenyl)-4-oxopentanamide (PubChem CID 11839711) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-oxopentanamide
PubChem CID11839711
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-oxopentanamide
SMILESCCc1cccc(C)c1NC(=O)CCC(C)=O
InChIInChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-13(17)9-8-11(3)16/h5-7H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyAMKPIROMHIQKAN-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
benzyl 4-(2-ethyl-6-methylanilino)-4-oxobutanoate
CID 924791
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-oxopentanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-oxopentanamide (CID 11839711) is N-(2-ethyl-6-methylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-oxopentanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-oxopentanamide is CCc1cccc(C)c1NC(=O)CCC(C)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-oxopentanamide?
The InChIKey is AMKPIROMHIQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-13(17)9-8-11(3)16/h5-7H,4,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-oxopentanamide?
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide has a molecular weight of 233.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-oxopentanamide is sourced from PubChem (CID 11839711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).