3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide

C20H23ClN2O4 — CID 51195428

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-12-9-18(26-3)19(27-4)10-16(12)23-20(25)11-17(22-13(2)24)14-5-7-15(21)8-6-14/h5-10,17H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWDVRWWKXGOHQEL-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.87
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide (PubChem CID 51195428) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
PubChem CID51195428
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-12-9-18(26-3)19(27-4)10-16(12)23-20(25)11-17(22-13(2)24)14-5-7-15(21)8-6-14/h5-10,17H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWDVRWWKXGOHQEL-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
CID 42920159
4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
CID 55706071
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 112772747
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide
CID 55764904
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide (CID 51195428) is 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide is COc1cc(C)c(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The InChIKey is WDVRWWKXGOHQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-12-9-18(26-3)19(27-4)10-16(12)23-20(25)11-17(22-13(2)24)14-5-7-15(21)8-6-14/h5-10,17H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide has a molecular weight of 390.87 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 51195428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).