N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide

C18H20ClNO3 — CID 78770504

IUPACN-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-13-7-8-16(17(9-13)22-3)23-12-18(21)20(2)11-14-5-4-6-15(19)10-14/h4-10H,11-12H2,1-3H3
InChIKeyWTYDYGNUHHQHPW-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.69
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide

N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide (PubChem CID 78770504) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
PubChem CID78770504
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-13-7-8-16(17(9-13)22-3)23-12-18(21)20(2)11-14-5-4-6-15(19)10-14/h4-10H,11-12H2,1-3H3
InChIKeyWTYDYGNUHHQHPW-UHFFFAOYSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide 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-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78765534
N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 112779333
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 112792407
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112792298
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345
2-[4-[[[[(3-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 111305727

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide (CID 78770504) is N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide is COc1cc(C)ccc1OCC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
The InChIKey is WTYDYGNUHHQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-13-7-8-16(17(9-13)22-3)23-12-18(21)20(2)11-14-5-4-6-15(19)10-14/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide has a molecular weight of 333.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide is sourced from PubChem (CID 78770504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).