2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide

C25H34N2O2 — CID 2165509

IUPAC2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CC)CC)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-5-20(6-2)24(28)26-22-13-9-18(10-14-22)17-19-11-15-23(16-12-19)27-25(29)21(7-3)8-4/h9-16,20-21H,5-8,17H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyJWFASYADTFOVHK-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.03
Rot. Bonds10

About 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide

2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide (PubChem CID 2165509) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
PubChem CID2165509
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CC)CC)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-5-20(6-2)24(28)26-22-13-9-18(10-14-22)17-19-11-15-23(16-12-19)27-25(29)21(7-3)8-4/h9-16,20-21H,5-8,17H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyJWFASYADTFOVHK-UHFFFAOYSA-N
XLogP6.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
CID 112982147
N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
CID 82259471
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide (CID 2165509) is 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CC)CC)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide?
The InChIKey is JWFASYADTFOVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-5-20(6-2)24(28)26-22-13-9-18(10-14-22)17-19-11-15-23(16-12-19)27-25(29)21(7-3)8-4/h9-16,20-21H,5-8,17H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide?
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide has a molecular weight of 394.56 g/mol, XLogP of 6.03, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide is sourced from PubChem (CID 2165509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).