N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide

C24H32N2O5 — CID 67641008

IUPACN-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
SMILESCCCC(=O)c1ccc(NC(C)=O)cc1O.CCCCc1ccc(NC(C)=O)cc1O
InChIInChI=1S/C12H15NO3.C12H17NO2/c1-3-4-11(15)10-6-5-9(7-12(10)16)13-8(2)14;1-3-4-5-10-6-7-11(8-12(10)15)13-9(2)14/h5-7,16H,3-4H2,1-2H3,(H,13,14);6-8,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyPUGXMAPGDZVLOL-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.03
Rot. Bonds8

About N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide

N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide (PubChem CID 67641008) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
PubChem CID67641008
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
SMILESCCCC(=O)c1ccc(NC(C)=O)cc1O.CCCCc1ccc(NC(C)=O)cc1O
InChIInChI=1S/C12H15NO3.C12H17NO2/c1-3-4-11(15)10-6-5-9(7-12(10)16)13-8(2)14;1-3-4-5-10-6-7-11(8-12(10)15)13-9(2)14/h5-7,16H,3-4H2,1-2H3,(H,13,14);6-8,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyPUGXMAPGDZVLOL-UHFFFAOYSA-N
XLogP5.03
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-butanoyl-3-hydroxyphenyl)-N-(4-butyl-3-hydroxyphenyl)butanediamide
CID 67641010
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
4-butylbenzene-1,2,3-triol;methane;1-(2,3,4-trihydroxyphenyl)butan-1-one
CID 158773669
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
CID 102522207
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449

Frequently Asked Questions

What is the IUPAC name of N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide (CID 67641008) is N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide is CCCC(=O)c1ccc(NC(C)=O)cc1O.CCCCc1ccc(NC(C)=O)cc1O.
What is the InChIKey of N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide?
The InChIKey is PUGXMAPGDZVLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.C12H17NO2/c1-3-4-11(15)10-6-5-9(7-12(10)16)13-8(2)14;1-3-4-5-10-6-7-11(8-12(10)15)13-9(2)14/h5-7,16H,3-4H2,1-2H3,(H,13,14);6-8,15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide?
N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide has a molecular weight of 428.53 g/mol, XLogP of 5.03, 8 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)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide is sourced from PubChem (CID 67641008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).