2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C23H30N2O2 — CID 46450100

IUPAC2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C23H30N2O2/c1-4-6-9-18-12-14-19(15-13-18)16-23(27)25(3)17-22(26)24-21-11-8-7-10-20(21)5-2/h7-8,10-15H,4-6,9,16-17H2,1-3H3,(H,24,26)
InChIKeyUKJVSDXEPYSVST-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.23
Rot. Bonds9

About 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 46450100) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID46450100
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C23H30N2O2/c1-4-6-9-18-12-14-19(15-13-18)16-23(27)25(3)17-22(26)24-21-11-8-7-10-20(21)5-2/h7-8,10-15H,4-6,9,16-17H2,1-3H3,(H,24,26)
InChIKeyUKJVSDXEPYSVST-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
CID 56813078
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 86922903
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-propylanilino)propanamide
CID 112799196
2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110178593
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
CID 7844933
N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119422754
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 46450100) is 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCCCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is UKJVSDXEPYSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-6-9-18-12-14-19(15-13-18)16-23(27)25(3)17-22(26)24-21-11-8-7-10-20(21)5-2/h7-8,10-15H,4-6,9,16-17H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 366.51 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 46450100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).