3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide

C15H23NO6 — CID 123510341

IUPAC3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide
SMILESO=C(CC(CO)Cc1ccc(O)cc1O)NCCOCCO
InChIInChI=1S/C15H23NO6/c17-4-6-22-5-3-16-15(21)8-11(10-18)7-12-1-2-13(19)9-14(12)20/h1-2,9,11,17-20H,3-8,10H2,(H,16,21)
InChIKeyMPXKFEDFUKHAAK-UHFFFAOYSA-N
MW313.35 g/mol
LogP-0.24
Rot. Bonds10

About 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide

3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide (PubChem CID 123510341) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide
PubChem CID123510341
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Name3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide
SMILESO=C(CC(CO)Cc1ccc(O)cc1O)NCCOCCO
InChIInChI=1S/C15H23NO6/c17-4-6-22-5-3-16-15(21)8-11(10-18)7-12-1-2-13(19)9-14(12)20/h1-2,9,11,17-20H,3-8,10H2,(H,16,21)
InChIKeyMPXKFEDFUKHAAK-UHFFFAOYSA-N
XLogP-0.24
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide (CID 123510341) is 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide is O=C(CC(CO)Cc1ccc(O)cc1O)NCCOCCO.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
The InChIKey is MPXKFEDFUKHAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c17-4-6-22-5-3-16-15(21)8-11(10-18)7-12-1-2-13(19)9-14(12)20/h1-2,9,11,17-20H,3-8,10H2,(H,16,21).
What are the key properties of 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide has a molecular weight of 313.35 g/mol, XLogP of -0.24, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]butanamide is sourced from PubChem (CID 123510341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).