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

C23H30N2O4 — CID 113169973

IUPAC2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-15-11-16(2)23(17(3)12-15)25(18(4)26)14-22(27)24-10-9-19-7-8-20(28-5)21(13-19)29-6/h7-8,11-13H,9-10,14H2,1-6H3,(H,24,27)
InChIKeyPIHYBTYINCDSIZ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.34
Rot. Bonds8

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

2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 113169973) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID113169973
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-15-11-16(2)23(17(3)12-15)25(18(4)26)14-22(27)24-10-9-19-7-8-20(28-5)21(13-19)29-6/h7-8,11-13H,9-10,14H2,1-6H3,(H,24,27)
InChIKeyPIHYBTYINCDSIZ-UHFFFAOYSA-N
XLogP3.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113058807
2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113176699
3-(N-acetyl-3,5-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124689
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124170
2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158352
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243
2-(N-acetyl-3-cyanoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113180877
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339417

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 113169973) is 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is PIHYBTYINCDSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15-11-16(2)23(17(3)12-15)25(18(4)26)14-22(27)24-10-9-19-7-8-20(28-5)21(13-19)29-6/h7-8,11-13H,9-10,14H2,1-6H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.34, 8 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-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113169973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).