5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide

C26H37N3O2 — CID 171640025

IUPAC5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC
InChIInChI=1S/C26H37N3O2/c1-3-4-9-18-28-25(30)13-8-10-19-29-26(31)24(27-2)20-21-14-16-23(17-15-21)22-11-6-5-7-12-22/h5-7,11-12,14-17,24,27H,3-4,8-10,13,18-20H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyZBJLZEGXLJXQOA-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.08
Rot. Bonds14

About 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide

5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide (PubChem CID 171640025) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide.

Molecular Properties

Compound Name5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide
PubChem CID171640025
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC
InChIInChI=1S/C26H37N3O2/c1-3-4-9-18-28-25(30)13-8-10-19-29-26(31)24(27-2)20-21-14-16-23(17-15-21)22-11-6-5-7-12-22/h5-7,11-12,14-17,24,27H,3-4,8-10,13,18-20H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyZBJLZEGXLJXQOA-UHFFFAOYSA-N
XLogP4.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
CID 172626022
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 42706052
(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
CID 142497406
N-[2-[[2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]heptanamide
CID 176965756
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[6-(heptylamino)-5-(methylamino)-6-oxohexyl]hexadecanamide
CID 162524665
2-[[2-[[2-(methylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-6-(8-oxononanoylamino)hexanoic acid
CID 171107920
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide?
The IUPAC name of 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide (CID 171640025) is 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide.
What is the SMILES notation for 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide?
The canonical SMILES for 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide is CCCCCNC(=O)CCCCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC.
What is the InChIKey of 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide?
The InChIKey is ZBJLZEGXLJXQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-3-4-9-18-28-25(30)13-8-10-19-29-26(31)24(27-2)20-21-14-16-23(17-15-21)22-11-6-5-7-12-22/h5-7,11-12,14-17,24,27H,3-4,8-10,13,18-20H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide?
5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide has a molecular weight of 423.60 g/mol, XLogP of 4.08, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide is sourced from PubChem (CID 171640025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).