3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C22H28N2O4 — CID 113124184

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H28N2O4/c1-16-5-10-21(17(2)15-16)24(18(3)25)13-11-22(26)23-12-14-28-20-8-6-19(27-4)7-9-20/h5-10,15H,11-14H2,1-4H3,(H,23,26)
InChIKeyZOLISMMZCZCUGR-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.25
Rot. Bonds9

About 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 113124184) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID113124184
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H28N2O4/c1-16-5-10-21(17(2)15-16)24(18(3)25)13-11-22(26)23-12-14-28-20-8-6-19(27-4)7-9-20/h5-10,15H,11-14H2,1-4H3,(H,23,26)
InChIKeyZOLISMMZCZCUGR-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide 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-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113167920
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124162
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124170
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 113124184) is 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is ZOLISMMZCZCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-5-10-21(17(2)15-16)24(18(3)25)13-11-22(26)23-12-14-28-20-8-6-19(27-4)7-9-20/h5-10,15H,11-14H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 113124184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).