5-[(3-amino-2-phenylpropanoyl)amino]pentanamide

C14H21N3O2 — CID 106235045

IUPAC5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
SMILESNCC(C(=O)NCCCCC(N)=O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c15-10-12(11-6-2-1-3-7-11)14(19)17-9-5-4-8-13(16)18/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19)
InChIKeyWBYSFYSSRDKMMW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.50
Rot. Bonds8

About 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide

5-[(3-amino-2-phenylpropanoyl)amino]pentanamide (PubChem CID 106235045) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
PubChem CID106235045
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
SMILESNCC(C(=O)NCCCCC(N)=O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c15-10-12(11-6-2-1-3-7-11)14(19)17-9-5-4-8-13(16)18/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19)
InChIKeyWBYSFYSSRDKMMW-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.50
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

3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
CID 54506547
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
(2R)-5-amino-2-[(3-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 107830298
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
CID 103812535
3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 119689808
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide?
The IUPAC name of 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide (CID 106235045) is 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide.
What is the SMILES notation for 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide?
The canonical SMILES for 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide is NCC(C(=O)NCCCCC(N)=O)c1ccccc1.
What is the InChIKey of 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide?
The InChIKey is WBYSFYSSRDKMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-10-12(11-6-2-1-3-7-11)14(19)17-9-5-4-8-13(16)18/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19).
What are the key properties of 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide?
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-phenylpropanoyl)amino]pentanamide is sourced from PubChem (CID 106235045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).