3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide

C21H26N2O2 — CID 113124832

IUPAC3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)c1c(C)cccc1C
InChIInChI=1S/C21H26N2O2/c1-15-8-5-6-11-19(15)14-22-20(25)12-13-23(18(4)24)21-16(2)9-7-10-17(21)3/h5-11H,12-14H2,1-4H3,(H,22,25)
InChIKeyYMZVCZUDAFSFER-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.67
Rot. Bonds6

About 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113124832) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113124832
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)c1c(C)cccc1C
InChIInChI=1S/C21H26N2O2/c1-15-8-5-6-11-19(15)14-22-20(25)12-13-23(18(4)24)21-16(2)9-7-10-17(21)3/h5-11H,12-14H2,1-4H3,(H,22,25)
InChIKeyYMZVCZUDAFSFER-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113131951
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 113124832) is 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1C)c1c(C)cccc1C.
What is the InChIKey of 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is YMZVCZUDAFSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-5-6-11-19(15)14-22-20(25)12-13-23(18(4)24)21-16(2)9-7-10-17(21)3/h5-11H,12-14H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113124832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).