2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

C21H25ClN2O3 — CID 113164583

IUPAC2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-14-11-15(2)21(18(22)12-14)23-20(26)13-24(16(3)25)10-9-17-7-5-6-8-19(17)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyLJUGBCIEWAPRLA-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.00
Rot. Bonds7

About 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 113164583) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID113164583
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-14-11-15(2)21(18(22)12-14)23-20(26)13-24(16(3)25)10-9-17-7-5-6-8-19(17)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyLJUGBCIEWAPRLA-UHFFFAOYSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164509
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164614
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 113164583) is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is COc1ccccc1CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is LJUGBCIEWAPRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14-11-15(2)21(18(22)12-14)23-20(26)13-24(16(3)25)10-9-17-7-5-6-8-19(17)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26).
What are the key properties of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113164583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).