2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide

C25H26N2O3 — CID 7698005

IUPAC2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-20(28)26-23-13-8-14-24(17-23)30-19-25(29)27(18-22-11-6-3-7-12-22)16-15-21-9-4-2-5-10-21/h2-14,17H,15-16,18-19H2,1H3,(H,26,28)
InChIKeyDUGFPHKXKWEDJP-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.30
Rot. Bonds9

About 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide

2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide (PubChem CID 7698005) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
PubChem CID7698005
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-20(28)26-23-13-8-14-24(17-23)30-19-25(29)27(18-22-11-6-3-7-12-22)16-15-21-9-4-2-5-10-21/h2-14,17H,15-16,18-19H2,1H3,(H,26,28)
InChIKeyDUGFPHKXKWEDJP-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
2-[3-[[benzyl(prop-2-enyl)carbamoyl]amino]phenoxy]-N,N-dimethylacetamide
CID 51118808
[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 7842609
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide (CID 7698005) is 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide is CC(=O)Nc1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide?
The InChIKey is DUGFPHKXKWEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-20(28)26-23-13-8-14-24(17-23)30-19-25(29)27(18-22-11-6-3-7-12-22)16-15-21-9-4-2-5-10-21/h2-14,17H,15-16,18-19H2,1H3,(H,26,28).
What are the key properties of 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide?
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).