2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide

C20H23ClN2O4 — CID 113166959

IUPAC2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2cccc(Cl)c2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H23ClN2O4/c1-14(24)23(10-9-15-5-4-6-16(21)11-15)13-20(25)22-18-8-7-17(26-2)12-19(18)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyDVDUTNNHFXGGBM-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.39
Rot. Bonds8

About 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide

2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 113166959) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID113166959
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2cccc(Cl)c2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H23ClN2O4/c1-14(24)23(10-9-15-5-4-6-16(21)11-15)13-20(25)22-18-8-7-17(26-2)12-19(18)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyDVDUTNNHFXGGBM-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165494
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164779
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide (CID 113166959) is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CCc2cccc(Cl)c2)C(C)=O)c(OC)c1.
What is the InChIKey of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is DVDUTNNHFXGGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14(24)23(10-9-15-5-4-6-16(21)11-15)13-20(25)22-18-8-7-17(26-2)12-19(18)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113166959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).