3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide

C21H26N2O2 — CID 113122262

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-18(24)23(16-9-12-19-10-5-3-6-11-19)17-15-21(25)22(2)20-13-7-4-8-14-20/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3
InChIKeyHPTXRGLSUVRCAI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.52
Rot. Bonds8

About 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide

3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide (PubChem CID 113122262) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
PubChem CID113122262
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-18(24)23(16-9-12-19-10-5-3-6-11-19)17-15-21(25)22(2)20-13-7-4-8-14-20/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3
InChIKeyHPTXRGLSUVRCAI-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
CID 113160082
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113160477
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 112996270

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide (CID 113122262) is 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)N(C)c1ccccc1.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide?
The InChIKey is HPTXRGLSUVRCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-18(24)23(16-9-12-19-10-5-3-6-11-19)17-15-21(25)22(2)20-13-7-4-8-14-20/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3.
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide?
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113122262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).