N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide

C19H22ClNO3 — CID 75871905

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-13(15-6-5-7-16(20)12-15)21(2)19(22)11-14-8-9-17(23-3)18(10-14)24-4/h5-10,12-13H,11H2,1-4H3
InChIKeyWJHWWVINRNGYDB-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.12
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide

N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide (PubChem CID 75871905) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
PubChem CID75871905
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-13(15-6-5-7-16(20)12-15)21(2)19(22)11-14-8-9-17(23-3)18(10-14)24-4/h5-10,12-13H,11H2,1-4H3
InChIKeyWJHWWVINRNGYDB-UHFFFAOYSA-N
XLogP4.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
CID 134053894
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282652
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99947653
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684341
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide (CID 75871905) is N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)C(C)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is WJHWWVINRNGYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(15-6-5-7-16(20)12-15)21(2)19(22)11-14-8-9-17(23-3)18(10-14)24-4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 347.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 75871905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).