3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide

C19H23N3O2 — CID 109020498

IUPAC3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-18-10-8-17(9-11-18)20-13-12-19(24)22(2)14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,21,23)
InChIKeyXKVKXBKVRLAXKJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.11
Rot. Bonds7

About 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide

3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide (PubChem CID 109020498) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
PubChem CID109020498
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-18-10-8-17(9-11-18)20-13-12-19(24)22(2)14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,21,23)
InChIKeyXKVKXBKVRLAXKJ-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020497
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109020525
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 109020527
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-anilino-N,N-dimethylpropanamide
CID 60961994
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide (CID 109020498) is 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide is CC(=O)Nc1ccc(NCCC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide?
The InChIKey is XKVKXBKVRLAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)21-18-10-8-17(9-11-18)20-13-12-19(24)22(2)14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide?
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 109020498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).