2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide

C21H26N2O2 — CID 113165855

IUPAC2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C21H26N2O2/c1-16-11-12-20(17(2)14-16)22-21(25)15-23(18(3)24)13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,22,25)
InChIKeyJUHITOSCHUGGOC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds7

About 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide

2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 113165855) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID113165855
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C21H26N2O2/c1-16-11-12-20(17(2)14-16)22-21(25)15-23(18(3)24)13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,22,25)
InChIKeyJUHITOSCHUGGOC-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
CID 15137572
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide (CID 113165855) is 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide is CC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is JUHITOSCHUGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-11-12-20(17(2)14-16)22-21(25)15-23(18(3)24)13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide?
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113165855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).