3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide

C21H26N2O2 — CID 113118746

IUPAC3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)Cc1ccccc1)Cc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-17-9-11-20(12-10-17)16-23(18(2)24)14-13-21(25)22(3)15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3
InChIKeyVLOUJWALDVUBEA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.39
Rot. Bonds7

About 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide (PubChem CID 113118746) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
PubChem CID113118746
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)Cc1ccccc1)Cc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-17-9-11-20(12-10-17)16-23(18(2)24)14-13-21(25)22(3)15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3
InChIKeyVLOUJWALDVUBEA-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
(4-methylphenyl) 4-[benzyl(methyl)amino]-4-oxobutanoate
CID 921084
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide (CID 113118746) is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide is CC(=O)N(CCC(=O)N(C)Cc1ccccc1)Cc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide?
The InChIKey is VLOUJWALDVUBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-9-11-20(12-10-17)16-23(18(2)24)14-13-21(25)22(3)15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3.
What are the key properties of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide?
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 113118746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).