5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid

C15H21NO3 — CID 54875421

IUPAC5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
SMILESCCN(CCc1ccccc1)C(=O)CCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-16(14(17)9-6-10-15(18)19)12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyUMAVGOMDENIZCL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds8

About 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid

5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid (PubChem CID 54875421) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
PubChem CID54875421
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
SMILESCCN(CCc1ccccc1)C(=O)CCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-16(14(17)9-6-10-15(18)19)12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyUMAVGOMDENIZCL-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid (CID 54875421) is 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid is CCN(CCc1ccccc1)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid?
The InChIKey is UMAVGOMDENIZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16(14(17)9-6-10-15(18)19)12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19).
What are the key properties of 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid?
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 54875421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).