2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide

C19H21NO3 — CID 78801691

IUPAC2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-15(16-8-4-3-5-9-16)12-20-19(22)14-23-18-11-7-6-10-17(18)13-21/h3-11,13,15H,2,12,14H2,1H3,(H,20,22)
InChIKeyMWVFVQGBDCGWEF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.19
Rot. Bonds8

About 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide

2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide (PubChem CID 78801691) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
PubChem CID78801691
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-15(16-8-4-3-5-9-16)12-20-19(22)14-23-18-11-7-6-10-17(18)13-21/h3-11,13,15H,2,12,14H2,1H3,(H,20,22)
InChIKeyMWVFVQGBDCGWEF-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 166405139
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608468
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 60513930
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide (CID 78801691) is 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide is CCC(CNC(=O)COc1ccccc1C=O)c1ccccc1.
What is the InChIKey of 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide?
The InChIKey is MWVFVQGBDCGWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-15(16-8-4-3-5-9-16)12-20-19(22)14-23-18-11-7-6-10-17(18)13-21/h3-11,13,15H,2,12,14H2,1H3,(H,20,22).
What are the key properties of 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide?
2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide is sourced from PubChem (CID 78801691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).