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

C28H32N2O3 — CID 133237249

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
SMILESCCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C28H32N2O3/c1-2-3-13-20-29-28(32)27(24-16-9-5-10-17-24)30(21-23-14-7-4-8-15-23)26(31)22-33-25-18-11-6-12-19-25/h4-12,14-19,27H,2-3,13,20-22H2,1H3,(H,29,32)
InChIKeyGSXKEYICKXMFPL-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.14
Rot. Bonds12

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

2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide (PubChem CID 133237249) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
PubChem CID133237249
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
SMILESCCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C28H32N2O3/c1-2-3-13-20-29-28(32)27(24-16-9-5-10-17-24)30(21-23-14-7-4-8-15-23)26(31)22-33-25-18-11-6-12-19-25/h4-12,14-19,27H,2-3,13,20-22H2,1H3,(H,29,32)
InChIKeyGSXKEYICKXMFPL-UHFFFAOYSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-hydroxypropyl)-2-phenylacetamide
CID 133237228
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133238329
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methoxypropyl)-2-phenylacetamide
CID 133238331
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
CID 132706995
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238348
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
(2S)-N-butyl-2-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100598495
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 133238351

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide (CID 133237249) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide is CCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide?
The InChIKey is GSXKEYICKXMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-2-3-13-20-29-28(32)27(24-16-9-5-10-17-24)30(21-23-14-7-4-8-15-23)26(31)22-33-25-18-11-6-12-19-25/h4-12,14-19,27H,2-3,13,20-22H2,1H3,(H,29,32).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide has a molecular weight of 444.58 g/mol, XLogP of 5.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide is sourced from PubChem (CID 133237249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).