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

C21H26N2O2 — CID 113118570

IUPAC3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)Cc1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-7-9-19(10-8-16)14-22-21(25)11-12-23(18(3)24)15-20-6-4-5-17(2)13-20/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25)
InChIKeyBBZUIRBSJHWVOV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.36
Rot. Bonds7

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

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113118570) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113118570
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)Cc1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-7-9-19(10-8-16)14-22-21(25)11-12-23(18(3)24)15-20-6-4-5-17(2)13-20/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25)
InChIKeyBBZUIRBSJHWVOV-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide (CID 113118570) is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(C)cc1)Cc1cccc(C)c1.
What is the InChIKey of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is BBZUIRBSJHWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-7-9-19(10-8-16)14-22-21(25)11-12-23(18(3)24)15-20-6-4-5-17(2)13-20/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113118570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).