2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide

C26H28N2O3 — CID 42852806

IUPAC2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
SMILESCOCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-31-20-26(30)28(19-23-10-6-3-7-11-23)24-14-12-22(13-15-24)18-25(29)27-17-16-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3,(H,27,29)
InChIKeyXDUSOWNLLWTWOH-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.77
Rot. Bonds10

About 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide

2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide (PubChem CID 42852806) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
PubChem CID42852806
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
SMILESCOCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-31-20-26(30)28(19-23-10-6-3-7-11-23)24-14-12-22(13-15-24)18-25(29)27-17-16-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3,(H,27,29)
InChIKeyXDUSOWNLLWTWOH-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 46046116
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 42852868
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045670
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide (CID 42852806) is 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide is COCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The InChIKey is XDUSOWNLLWTWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-31-20-26(30)28(19-23-10-6-3-7-11-23)24-14-12-22(13-15-24)18-25(29)27-17-16-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3,(H,27,29).
What are the key properties of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 42852806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).