2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide

C23H30N2O2 — CID 133148977

IUPAC2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-3-4-11-16-24-23(27)19(2)25(18-21-14-9-6-10-15-21)22(26)17-20-12-7-5-8-13-20/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3,(H,24,27)
InChIKeyAHVZWGUWEFQXCD-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.95
Rot. Bonds10

About 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide

2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide (PubChem CID 133148977) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
PubChem CID133148977
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-3-4-11-16-24-23(27)19(2)25(18-21-14-9-6-10-15-21)22(26)17-20-12-7-5-8-13-20/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3,(H,24,27)
InChIKeyAHVZWGUWEFQXCD-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.95
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

2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148959
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100563738
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 132703411
2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-butylpropanamide
CID 132715625

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide (CID 133148977) is 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide?
The InChIKey is AHVZWGUWEFQXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-4-11-16-24-23(27)19(2)25(18-21-14-9-6-10-15-21)22(26)17-20-12-7-5-8-13-20/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3,(H,24,27).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide?
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide has a molecular weight of 366.50 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 133148977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).