3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide

C24H26N2O2 — CID 109023136

IUPAC3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O2/c1-2-26(19-20-11-5-3-6-12-20)18-17-24(27)25-22-15-9-10-16-23(22)28-21-13-7-4-8-14-21/h3-16H,2,17-19H2,1H3,(H,25,27)
InChIKeyUUSYXDTUWFHLMD-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.33
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide

3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide (PubChem CID 109023136) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
PubChem CID109023136
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O2/c1-2-26(19-20-11-5-3-6-12-20)18-17-24(27)25-22-15-9-10-16-23(22)28-21-13-7-4-8-14-21/h3-16H,2,17-19H2,1H3,(H,25,27)
InChIKeyUUSYXDTUWFHLMD-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 56525379
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 31993096
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
N-(2-phenoxyphenyl)decanamide
CID 4091110
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide (CID 109023136) is 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide is CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is UUSYXDTUWFHLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-26(19-20-11-5-3-6-12-20)18-17-24(27)25-22-15-9-10-16-23(22)28-21-13-7-4-8-14-21/h3-16H,2,17-19H2,1H3,(H,25,27).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide?
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 374.48 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 109023136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).