N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide

C19H23ClN2O3 — CID 109003093

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-12-7-13(2)19(15(20)8-12)22-18(23)11-21-10-14-5-6-16(24-3)17(9-14)25-4/h5-9,21H,10-11H2,1-4H3,(H,22,23)
InChIKeyHBFNQGIFTUOXKP-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.70
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide (PubChem CID 109003093) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
PubChem CID109003093
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-12-7-13(2)19(15(20)8-12)22-18(23)11-21-10-14-5-6-16(24-3)17(9-14)25-4/h5-9,21H,10-11H2,1-4H3,(H,22,23)
InChIKeyHBFNQGIFTUOXKP-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109028281
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221853
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804080
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109003078
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008811
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide (CID 109003093) is N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide is COc1ccc(CNCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide?
The InChIKey is HBFNQGIFTUOXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-12-7-13(2)19(15(20)8-12)22-18(23)11-21-10-14-5-6-16(24-3)17(9-14)25-4/h5-9,21H,10-11H2,1-4H3,(H,22,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide has a molecular weight of 362.86 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 109003093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).