2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide

C20H25ClN2O3 — CID 87013294

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)CN(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN2O3/c1-23(14-16-6-8-18(21)9-7-16)15-20(24)22-13-17-4-3-5-19(12-17)26-11-10-25-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,24)
InChIKeyWOBCGRPNBIDYBN-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.11
Rot. Bonds10

About 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide (PubChem CID 87013294) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
PubChem CID87013294
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)CN(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN2O3/c1-23(14-16-6-8-18(21)9-7-16)15-20(24)22-13-17-4-3-5-19(12-17)26-11-10-25-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,24)
InChIKeyWOBCGRPNBIDYBN-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]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-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87017985
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27250281
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
CID 24761813
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 87013292
1-[(3-chlorophenyl)methyl]-3-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111176660
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60507319

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide (CID 87013294) is 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide is COCCOc1cccc(CNC(=O)CN(C)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is WOBCGRPNBIDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-23(14-16-6-8-18(21)9-7-16)15-20(24)22-13-17-4-3-5-19(12-17)26-11-10-25-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 376.88 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 87013294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).