N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide

C19H23NO3 — CID 133210994

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
SMILESCc1ccc(OCCNC(=O)C(C)Oc2ccccc2)cc1C
InChIInChI=1S/C19H23NO3/c1-14-9-10-18(13-15(14)2)22-12-11-20-19(21)16(3)23-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyZOLKLSIQVFGUSX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide

N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide (PubChem CID 133210994) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
PubChem CID133210994
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
SMILESCc1ccc(OCCNC(=O)C(C)Oc2ccccc2)cc1C
InChIInChI=1S/C19H23NO3/c1-14-9-10-18(13-15(14)2)22-12-11-20-19(21)16(3)23-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyZOLKLSIQVFGUSX-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide 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

N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide (CID 133210994) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide is Cc1ccc(OCCNC(=O)C(C)Oc2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide?
The InChIKey is ZOLKLSIQVFGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-9-10-18(13-15(14)2)22-12-11-20-19(21)16(3)23-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 133210994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).