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

C23H30N2O4 — CID 113058807

IUPACN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(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)10-9-24-22(27)14-19-7-8-20(28-5)21(13-19)29-6/h7-8,11-13H,9-10,14H2,1-6H3,(H,24,27)
InChIKeyMVAANKMGJQVXNO-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.34
Rot. Bonds8

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

N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113058807) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID113058807
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(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)10-9-24-22(27)14-19-7-8-20(28-5)21(13-19)29-6/h7-8,11-13H,9-10,14H2,1-6H3,(H,24,27)
InChIKeyMVAANKMGJQVXNO-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-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
N-[2-(N-acetyl-2-chloroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113059443
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
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
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060159
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 113058807) is N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)c2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is MVAANKMGJQVXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15-11-16(2)23(17(3)12-15)25(18(4)26)10-9-24-22(27)14-19-7-8-20(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 N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)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 N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).