2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride

C23H31ClN2O3 — CID 52984366

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)cc1.Cl
InChIInChI=1S/C23H30N2O3.ClH/c1-17-4-7-20(8-5-17)22(25-10-12-27-13-11-25)15-24-23(26)16-28-21-9-6-18(2)19(3)14-21;/h4-9,14,22H,10-13,15-16H2,1-3H3,(H,24,26);1H
InChIKeyFCSDVTDJIINNCV-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.60
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride

2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride (PubChem CID 52984366) has the molecular formula C23H31ClN2O3 and a molecular weight of 418.97 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
PubChem CID52984366
Molecular FormulaC23H31ClN2O3
Molecular Weight418.97 g/mol
Exact Mass418.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)cc1.Cl
InChIInChI=1S/C23H30N2O3.ClH/c1-17-4-7-20(8-5-17)22(25-10-12-27-13-11-25)15-24-23(26)16-28-21-9-6-18(2)19(3)14-21;/h4-9,14,22H,10-13,15-16H2,1-3H3,(H,24,26);1H
InChIKeyFCSDVTDJIINNCV-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride 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-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014583
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 45155087
N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30575756
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
N-(2-morpholin-4-yl-2-phenylethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 46569876

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride (CID 52984366) is 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride is Cc1ccc(C(CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)cc1.Cl.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
The InChIKey is FCSDVTDJIINNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.ClH/c1-17-4-7-20(8-5-17)22(25-10-12-27-13-11-25)15-24-23(26)16-28-21-9-6-18(2)19(3)14-21;/h4-9,14,22H,10-13,15-16H2,1-3H3,(H,24,26);1H.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 52984366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).