5-(3,4-diethoxyanilino)-5-oxopentanoic acid

C15H21NO5 — CID 43396454

IUPAC5-(3,4-diethoxyanilino)-5-oxopentanoic acid
SMILESCCOc1ccc(NC(=O)CCCC(=O)O)cc1OCC
InChIInChI=1S/C15H21NO5/c1-3-20-12-9-8-11(10-13(12)21-4-2)16-14(17)6-5-7-15(18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHEIFXDXJIXKRHY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.68
Rot. Bonds9

About 5-(3,4-diethoxyanilino)-5-oxopentanoic acid

5-(3,4-diethoxyanilino)-5-oxopentanoic acid (PubChem CID 43396454) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(3,4-diethoxyanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3,4-diethoxyanilino)-5-oxopentanoic acid
PubChem CID43396454
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name5-(3,4-diethoxyanilino)-5-oxopentanoic acid
SMILESCCOc1ccc(NC(=O)CCCC(=O)O)cc1OCC
InChIInChI=1S/C15H21NO5/c1-3-20-12-9-8-11(10-13(12)21-4-2)16-14(17)6-5-7-15(18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHEIFXDXJIXKRHY-UHFFFAOYSA-N
XLogP2.68
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(3,4-diethoxyanilino)-5-oxopentanoic acid (CID 43396454) is 5-(3,4-diethoxyanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3,4-diethoxyanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(3,4-diethoxyanilino)-5-oxopentanoic acid is CCOc1ccc(NC(=O)CCCC(=O)O)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyanilino)-5-oxopentanoic acid?
The InChIKey is HEIFXDXJIXKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-20-12-9-8-11(10-13(12)21-4-2)16-14(17)6-5-7-15(18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-(3,4-diethoxyanilino)-5-oxopentanoic acid?
5-(3,4-diethoxyanilino)-5-oxopentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyanilino)-5-oxopentanoic acid is sourced from PubChem (CID 43396454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).