2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide

C19H21N3O3 — CID 60536243

IUPAC2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2cccc(C(C)=O)c2)ccc1C
InChIInChI=1S/C19H21N3O3/c1-12-7-8-16(10-18(12)21-14(3)24)20-11-19(25)22-17-6-4-5-15(9-17)13(2)23/h4-10,20H,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWQJVZTKZIZOBKG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.21
Rot. Bonds6

About 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide

2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide (PubChem CID 60536243) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
PubChem CID60536243
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2cccc(C(C)=O)c2)ccc1C
InChIInChI=1S/C19H21N3O3/c1-12-7-8-16(10-18(12)21-14(3)24)20-11-19(25)22-17-6-4-5-15(9-17)13(2)23/h4-10,20H,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWQJVZTKZIZOBKG-UHFFFAOYSA-N
XLogP3.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide (CID 60536243) is 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide is CC(=O)Nc1cc(NCC(=O)Nc2cccc(C(C)=O)c2)ccc1C.
What is the InChIKey of 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide?
The InChIKey is WQJVZTKZIZOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-8-16(10-18(12)21-14(3)24)20-11-19(25)22-17-6-4-5-15(9-17)13(2)23/h4-10,20H,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide?
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 60536243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).