3-(4-ethyl-N-pentanoylanilino)propanoic acid

C16H23NO3 — CID 82320880

IUPAC3-(4-ethyl-N-pentanoylanilino)propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)c1ccc(CC)cc1
InChIInChI=1S/C16H23NO3/c1-3-5-6-15(18)17(12-11-16(19)20)14-9-7-13(4-2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyJWTWQVAMUMRHNY-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.25
Rot. Bonds8

About 3-(4-ethyl-N-pentanoylanilino)propanoic acid

3-(4-ethyl-N-pentanoylanilino)propanoic acid (PubChem CID 82320880) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(4-ethyl-N-pentanoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-N-pentanoylanilino)propanoic acid
PubChem CID82320880
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(4-ethyl-N-pentanoylanilino)propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)c1ccc(CC)cc1
InChIInChI=1S/C16H23NO3/c1-3-5-6-15(18)17(12-11-16(19)20)14-9-7-13(4-2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyJWTWQVAMUMRHNY-UHFFFAOYSA-N
XLogP3.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-butyl-N-propanoylanilino)propanoic acid
CID 82320587
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-(N-octanoylanilino)propanoic acid
CID 60831115
1-butyl-1-(4-ethylphenyl)urea
CID 45095409
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
2-(4-ethyl-N-propanoylanilino)acetic acid
CID 28766085
3-[N-[3-(dimethylamino)propyl]-4-ethylanilino]propanoic acid
CID 82319981
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
3-[4-ethyl-N-(2-methylpropyl)anilino]propanoic acid
CID 82319275
1,3-dibutyl-1-[4-[butyl-[butyl-[4-(hydroxymethyl)phenyl]carbamoyl]amino]phenyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 129120352
3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-N-pentanoylanilino)propanoic acid?
The IUPAC name of 3-(4-ethyl-N-pentanoylanilino)propanoic acid (CID 82320880) is 3-(4-ethyl-N-pentanoylanilino)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-N-pentanoylanilino)propanoic acid?
The canonical SMILES for 3-(4-ethyl-N-pentanoylanilino)propanoic acid is CCCCC(=O)N(CCC(=O)O)c1ccc(CC)cc1.
What is the InChIKey of 3-(4-ethyl-N-pentanoylanilino)propanoic acid?
The InChIKey is JWTWQVAMUMRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-5-6-15(18)17(12-11-16(19)20)14-9-7-13(4-2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-ethyl-N-pentanoylanilino)propanoic acid?
3-(4-ethyl-N-pentanoylanilino)propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-N-pentanoylanilino)propanoic acid is sourced from PubChem (CID 82320880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).