3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid

C16H23NO5 — CID 95533535

IUPAC3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23NO5/c1-4-5-6-15(18)17(10-9-16(19)20)13-11-12(21-2)7-8-14(13)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyRNHGPNQGTOMKNY-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.70
Rot. Bonds9

About 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid

3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid (PubChem CID 95533535) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid
PubChem CID95533535
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23NO5/c1-4-5-6-15(18)17(10-9-16(19)20)13-11-12(21-2)7-8-14(13)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyRNHGPNQGTOMKNY-UHFFFAOYSA-N
XLogP2.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxy-N-propylanilino)butanoic acid
CID 100521422
3-[N-(cyanomethyl)-2,5-dimethoxyanilino]propanoic acid
CID 82318414
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
4-(2,4-dimethoxy-N-propylanilino)butanoic acid
CID 100521291
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
4-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
CID 50895111
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid?
The IUPAC name of 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid (CID 95533535) is 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid?
The canonical SMILES for 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid is CCCCC(=O)N(CCC(=O)O)c1cc(OC)ccc1OC.
What is the InChIKey of 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid?
The InChIKey is RNHGPNQGTOMKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-5-6-15(18)17(10-9-16(19)20)13-11-12(21-2)7-8-14(13)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid?
3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid has a molecular weight of 309.36 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid is sourced from PubChem (CID 95533535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).