3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C20H23ClN2O3 — CID 78804503

IUPAC3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(C(CC(=O)N(C)Cc2ccc(Cl)cc2)NC(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(24)22-19(16-6-10-18(26-3)11-7-16)12-20(25)23(2)13-15-4-8-17(21)9-5-15/h4-11,19H,12-13H2,1-3H3,(H,22,24)
InChIKeyOYRKUMFLRZDJND-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.57
Rot. Bonds7

About 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 78804503) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID78804503
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(C(CC(=O)N(C)Cc2ccc(Cl)cc2)NC(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(24)22-19(16-6-10-18(26-3)11-7-16)12-20(25)23(2)13-15-4-8-17(21)9-5-15/h4-11,19H,12-13H2,1-3H3,(H,22,24)
InChIKeyOYRKUMFLRZDJND-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 86924803
3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51196023
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 134012020
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380350
3-acetamido-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 55487655
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 78804503) is 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(C(CC(=O)N(C)Cc2ccc(Cl)cc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is OYRKUMFLRZDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(24)22-19(16-6-10-18(26-3)11-7-16)12-20(25)23(2)13-15-4-8-17(21)9-5-15/h4-11,19H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 78804503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).