N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

C18H21ClN2O2 — CID 8761370

IUPACN-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13-4-7-15(10-17(13)19)20-18(22)12-21(2)11-14-5-8-16(23-3)9-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyHKBAGEDILVTZEM-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.73
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8761370) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8761370
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13-4-7-15(10-17(13)19)20-18(22)12-21(2)11-14-5-8-16(23-3)9-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyHKBAGEDILVTZEM-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (CID 8761370) is N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is HKBAGEDILVTZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-4-7-15(10-17(13)19)20-18(22)12-21(2)11-14-5-8-16(23-3)9-6-14/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8761370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).