2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide

C22H28N2O2 — CID 133237048

IUPAC2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
SMILESCCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C22H28N2O2/c1-3-4-11-16-23-22(26)21(20-14-9-6-10-15-20)24(18(2)25)17-19-12-7-5-8-13-19/h5-10,12-15,21H,3-4,11,16-17H2,1-2H3,(H,23,26)
InChIKeyVBMSPIVUPHYXJM-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.08
Rot. Bonds9

About 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide

2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide (PubChem CID 133237048) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
PubChem CID133237048
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
SMILESCCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C22H28N2O2/c1-3-4-11-16-23-22(26)21(20-14-9-6-10-15-20)24(18(2)25)17-19-12-7-5-8-13-19/h5-10,12-15,21H,3-4,11,16-17H2,1-2H3,(H,23,26)
InChIKeyVBMSPIVUPHYXJM-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.08
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-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133238194
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
CID 133236926
N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237530

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide (CID 133237048) is 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide is CCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide?
The InChIKey is VBMSPIVUPHYXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-4-11-16-23-22(26)21(20-14-9-6-10-15-20)24(18(2)25)17-19-12-7-5-8-13-19/h5-10,12-15,21H,3-4,11,16-17H2,1-2H3,(H,23,26).
What are the key properties of 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide?
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide has a molecular weight of 352.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide is sourced from PubChem (CID 133237048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).