N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide

C19H22ClNO3 — CID 51606705

IUPACN-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-21(13-15-4-8-16(20)9-5-15)19(22)11-7-14-6-10-17(23-2)18(12-14)24-3/h4-6,8-10,12H,7,11,13H2,1-3H3
InChIKeyWYWYBYUWAYCGAY-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.95
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide

N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 51606705) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
PubChem CID51606705
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-21(13-15-4-8-16(20)9-5-15)19(22)11-7-14-6-10-17(23-2)18(12-14)24-3/h4-6,8-10,12H,7,11,13H2,1-3H3
InChIKeyWYWYBYUWAYCGAY-UHFFFAOYSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 23087643
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8965694
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 34653525
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 99956830
3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 31988959

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide (CID 51606705) is N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is WYWYBYUWAYCGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-21(13-15-4-8-16(20)9-5-15)19(22)11-7-14-6-10-17(23-2)18(12-14)24-3/h4-6,8-10,12H,7,11,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 51606705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).