3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide

C20H25N3O2 — CID 109036992

IUPAC3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H25N3O2/c1-13-10-14(2)20(15(3)11-13)23-19(25)8-9-21-17-6-5-7-18(12-17)22-16(4)24/h5-7,10-12,21H,8-9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDIXSMZQWLHYMPM-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.01
Rot. Bonds6

About 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide

3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 109036992) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID109036992
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H25N3O2/c1-13-10-14(2)20(15(3)11-13)23-19(25)8-9-21-17-6-5-7-18(12-17)22-16(4)24/h5-7,10-12,21H,8-9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDIXSMZQWLHYMPM-UHFFFAOYSA-N
XLogP4.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035823

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 109036992) is 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)Nc1cccc(NCCC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is DIXSMZQWLHYMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-10-14(2)20(15(3)11-13)23-19(25)8-9-21-17-6-5-7-18(12-17)22-16(4)24/h5-7,10-12,21H,8-9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide?
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 109036992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).