N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide

C24H30N2O5 — CID 67641010

IUPACN'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide
SMILESCCCCc1ccc(NC(=O)CCC(=O)Nc2ccc(C(=O)CCC)c(O)c2)cc1O
InChIInChI=1S/C24H30N2O5/c1-3-5-7-16-8-9-17(14-21(16)28)25-23(30)12-13-24(31)26-18-10-11-19(22(29)15-18)20(27)6-4-2/h8-11,14-15,28-29H,3-7,12-13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyXBMOBXXRMSAGMG-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.78
Rot. Bonds11

About N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide

N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide (PubChem CID 67641010) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide
PubChem CID67641010
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide
SMILESCCCCc1ccc(NC(=O)CCC(=O)Nc2ccc(C(=O)CCC)c(O)c2)cc1O
InChIInChI=1S/C24H30N2O5/c1-3-5-7-16-8-9-17(14-21(16)28)25-23(30)12-13-24(31)26-18-10-11-19(22(29)15-18)20(27)6-4-2/h8-11,14-15,28-29H,3-7,12-13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyXBMOBXXRMSAGMG-UHFFFAOYSA-N
XLogP4.78
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
CID 67641008
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
4-butylbenzene-1,2,3-triol;methane;1-(2,3,4-trihydroxyphenyl)butan-1-one
CID 158773669
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11661279
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399

Frequently Asked Questions

What is the IUPAC name of N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide?
The IUPAC name of N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide (CID 67641010) is N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide.
What is the SMILES notation for N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide?
The canonical SMILES for N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide is CCCCc1ccc(NC(=O)CCC(=O)Nc2ccc(C(=O)CCC)c(O)c2)cc1O.
What is the InChIKey of N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide?
The InChIKey is XBMOBXXRMSAGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-3-5-7-16-8-9-17(14-21(16)28)25-23(30)12-13-24(31)26-18-10-11-19(22(29)15-18)20(27)6-4-2/h8-11,14-15,28-29H,3-7,12-13H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide?
N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide has a molecular weight of 426.51 g/mol, XLogP of 4.78, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide is sourced from PubChem (CID 67641010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).