2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide

C29H33FN2O4 — CID 133238348

IUPAC2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C29H33FN2O4/c1-22(2)35-19-9-18-31-29(34)28(24-10-5-3-6-11-24)32(20-23-14-16-25(30)17-15-23)27(33)21-36-26-12-7-4-8-13-26/h3-8,10-17,22,28H,9,18-21H2,1-2H3,(H,31,34)
InChIKeyYLBALFGBMVXCBB-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.91
Rot. Bonds13

About 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 133238348) has the molecular formula C29H33FN2O4 and a molecular weight of 492.59 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID133238348
Molecular FormulaC29H33FN2O4
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C29H33FN2O4/c1-22(2)35-19-9-18-31-29(34)28(24-10-5-3-6-11-24)32(20-23-14-16-25(30)17-15-23)27(33)21-36-26-12-7-4-8-13-26/h3-8,10-17,22,28H,9,18-21H2,1-2H3,(H,31,34)
InChIKeyYLBALFGBMVXCBB-UHFFFAOYSA-N
XLogP4.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methoxypropyl)-2-phenylacetamide
CID 133238331
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133238329
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 133238351
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133238282
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133237228
2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133213190
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133237730
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133236162

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide (CID 133238348) is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is YLBALFGBMVXCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O4/c1-22(2)35-19-9-18-31-29(34)28(24-10-5-3-6-11-24)32(20-23-14-16-25(30)17-15-23)27(33)21-36-26-12-7-4-8-13-26/h3-8,10-17,22,28H,9,18-21H2,1-2H3,(H,31,34).
What are the key properties of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 492.59 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 133238348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).