N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide

C15H23NO4 — CID 72704836

IUPACN-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide
SMILESCCCCNC(=O)C(CCO)Cc1ccc(O)cc1O
InChIInChI=1S/C15H23NO4/c1-2-3-7-16-15(20)12(6-8-17)9-11-4-5-13(18)10-14(11)19/h4-5,10,12,17-19H,2-3,6-9H2,1H3,(H,16,20)
InChIKeyJHIVXOFMWKXPDE-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.56
Rot. Bonds8

About N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide

N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide (PubChem CID 72704836) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide
PubChem CID72704836
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide
SMILESCCCCNC(=O)C(CCO)Cc1ccc(O)cc1O
InChIInChI=1S/C15H23NO4/c1-2-3-7-16-15(20)12(6-8-17)9-11-4-5-13(18)10-14(11)19/h4-5,10,12,17-19H,2-3,6-9H2,1H3,(H,16,20)
InChIKeyJHIVXOFMWKXPDE-UHFFFAOYSA-N
XLogP1.56
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[3-fluoro-5-hydroxy-2-[(3R)-5-oxopyrrolidin-3-yl]phenyl] hypofluorite
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CID 15470091
N-(4-hydroxyphenethyl)-4-hydroxydecanamide
CID 129850625
(3R)-3-(2-hydroxyphenyl)-N-propylpentanamide
CID 134964830
N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 9816415
N-(6-aminohexyl)-3-(2-hydroxyphenyl)propanamide
CID 9838169
N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide
CID 10220952
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
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CID 18326928

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide?
The IUPAC name of N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide (CID 72704836) is N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide.
What is the SMILES notation for N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide?
The canonical SMILES for N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide is CCCCNC(=O)C(CCO)Cc1ccc(O)cc1O.
What is the InChIKey of N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide?
The InChIKey is JHIVXOFMWKXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-3-7-16-15(20)12(6-8-17)9-11-4-5-13(18)10-14(11)19/h4-5,10,12,17-19H,2-3,6-9H2,1H3,(H,16,20).
What are the key properties of N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide?
N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide has a molecular weight of 281.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxybutanamide is sourced from PubChem (CID 72704836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).