2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide

C26H36N2O2 — CID 132706623

IUPAC2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C26H36N2O2/c1-4-7-19-27-26(30)24(6-3)28(20-23-11-9-8-10-12-23)25(29)18-17-22-15-13-21(5-2)14-16-22/h8-16,24H,4-7,17-20H2,1-3H3,(H,27,30)
InChIKeyGPGWICPPVGYTBJ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.91
Rot. Bonds12

About 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide

2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide (PubChem CID 132706623) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide
PubChem CID132706623
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C26H36N2O2/c1-4-7-19-27-26(30)24(6-3)28(20-23-11-9-8-10-12-23)25(29)18-17-22-15-13-21(5-2)14-16-22/h8-16,24H,4-7,17-20H2,1-3H3,(H,27,30)
InChIKeyGPGWICPPVGYTBJ-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 132709520
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133258264
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100640258
(2S)-2-[(4-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butyl-3-phenylpropanamide
CID 100678999
N-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132716707
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
(2R)-N-butyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100603460
(2R)-N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100590410
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-butylbutanamide
CID 132721966
N-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133204441
2-[(3-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butyl-3-phenylpropanamide
CID 133206254

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide?
The IUPAC name of 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide (CID 132706623) is 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide.
What is the SMILES notation for 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide?
The canonical SMILES for 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide is CCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1.
What is the InChIKey of 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide?
The InChIKey is GPGWICPPVGYTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-4-7-19-27-26(30)24(6-3)28(20-23-11-9-8-10-12-23)25(29)18-17-22-15-13-21(5-2)14-16-22/h8-16,24H,4-7,17-20H2,1-3H3,(H,27,30).
What are the key properties of 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide?
2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide has a molecular weight of 408.59 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide is sourced from PubChem (CID 132706623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).