2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide

C26H28N2O3 — CID 133237038

IUPAC2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C26H28N2O3/c1-20(29)28(19-22-9-5-3-6-10-22)25(23-11-7-4-8-12-23)26(30)27-18-17-21-13-15-24(31-2)16-14-21/h3-16,25H,17-19H2,1-2H3,(H,27,30)
InChIKeyQDRHWEIIIQPCGR-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.14
Rot. Bonds9

About 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide

2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 133237038) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID133237038
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C26H28N2O3/c1-20(29)28(19-22-9-5-3-6-10-22)25(23-11-7-4-8-12-23)26(30)27-18-17-21-13-15-24(31-2)16-14-21/h3-16,25H,17-19H2,1-2H3,(H,27,30)
InChIKeyQDRHWEIIIQPCGR-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 133236497
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 86810141
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133236493
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide (CID 133237038) is 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide is COc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccccc2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is QDRHWEIIIQPCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-20(29)28(19-22-9-5-3-6-10-22)25(23-11-7-4-8-12-23)26(30)27-18-17-21-13-15-24(31-2)16-14-21/h3-16,25H,17-19H2,1-2H3,(H,27,30).
What are the key properties of 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide?
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 416.52 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 133237038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).