2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C22H28N2O4 — CID 113169975

IUPAC2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14-9-15(2)22(16(3)10-14)24(17(4)25)13-21(26)23-12-18-7-8-19(27-5)20(11-18)28-6/h7-11H,12-13H2,1-6H3,(H,23,26)
InChIKeyZTWNROHBRABFTL-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.30
Rot. Bonds7

About 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 113169975) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID113169975
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14-9-15(2)22(16(3)10-14)24(17(4)25)13-21(26)23-12-18-7-8-19(27-5)20(11-18)28-6/h7-11H,12-13H2,1-6H3,(H,23,26)
InChIKeyZTWNROHBRABFTL-UHFFFAOYSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113170289
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113058807
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8729621
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 113169975) is 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is ZTWNROHBRABFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-9-15(2)22(16(3)10-14)24(17(4)25)13-21(26)23-12-18-7-8-19(27-5)20(11-18)28-6/h7-11H,12-13H2,1-6H3,(H,23,26).
What are the key properties of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113169975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).