3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide

C17H26N2O2 — CID 113120794

IUPAC3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(CCc1ccccc1)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-18(5-2)17(21)12-14-19(15(3)20)13-11-16-9-7-6-8-10-16/h6-10H,4-5,11-14H2,1-3H3
InChIKeyINGXXMFGLVHALS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.34
Rot. Bonds8

About 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide

3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide (PubChem CID 113120794) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
PubChem CID113120794
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(CCc1ccccc1)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-18(5-2)17(21)12-14-19(15(3)20)13-11-16-9-7-6-8-10-16/h6-10H,4-5,11-14H2,1-3H3
InChIKeyINGXXMFGLVHALS-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-[acetyl(2-phenylethyl)amino]-N,N-dipropylacetamide
CID 113164026
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide (CID 113120794) is 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(CCc1ccccc1)C(C)=O.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide?
The InChIKey is INGXXMFGLVHALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18(5-2)17(21)12-14-19(15(3)20)13-11-16-9-7-6-8-10-16/h6-10H,4-5,11-14H2,1-3H3.
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide?
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113120794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).