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

C19H23N3O2 — CID 109020497

IUPAC3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-18-10-6-9-17(13-18)20-12-11-19(24)22(2)14-16-7-4-3-5-8-16/h3-10,13,20H,11-12,14H2,1-2H3,(H,21,23)
InChIKeyRQVMVGXSTFOMQP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.11
Rot. Bonds7

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

3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide (PubChem CID 109020497) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
PubChem CID109020497
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-18-10-6-9-17(13-18)20-12-11-19(24)22(2)14-16-7-4-3-5-8-16/h3-10,13,20H,11-12,14H2,1-2H3,(H,21,23)
InChIKeyRQVMVGXSTFOMQP-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-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109020525
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 109020527
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide (CID 109020497) is 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide is CC(=O)Nc1cccc(NCCC(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide?
The InChIKey is RQVMVGXSTFOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)21-18-10-6-9-17(13-18)20-12-11-19(24)22(2)14-16-7-4-3-5-8-16/h3-10,13,20H,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide?
3-(3-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-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 109020497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).