N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide

C20H23NO2 — CID 110295025

IUPACN-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCN(C(=O)CCC(=O)c1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C20H23NO2/c1-4-21(18-7-5-6-16(3)14-18)20(23)13-12-19(22)17-10-8-15(2)9-11-17/h5-11,14H,4,12-13H2,1-3H3
InChIKeyMUKONVLXDKJICO-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.32
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide

N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 110295025) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID110295025
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCN(C(=O)CCC(=O)c1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C20H23NO2/c1-4-21(18-7-5-6-16(3)14-18)20(23)13-12-19(22)17-10-8-15(2)9-11-17/h5-11,14H,4,12-13H2,1-3H3
InChIKeyMUKONVLXDKJICO-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-(4-methoxyphenyl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110298284
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
CID 110344639
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 110295025) is N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide is CCN(C(=O)CCC(=O)c1ccc(C)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is MUKONVLXDKJICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-21(18-7-5-6-16(3)14-18)20(23)13-12-19(22)17-10-8-15(2)9-11-17/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 309.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110295025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).