3-(1,2,4-trihydroxybutyl)benzamide

C11H15NO4 — CID 171872426

IUPAC3-(1,2,4-trihydroxybutyl)benzamide
SMILESNC(=O)c1cccc(C(O)C(O)CCO)c1
InChIInChI=1S/C11H15NO4/c12-11(16)8-3-1-2-7(6-8)10(15)9(14)4-5-13/h1-3,6,9-10,13-15H,4-5H2,(H2,12,16)
InChIKeyIYSPIMOZCNHEAL-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.44
Rot. Bonds5

About 3-(1,2,4-trihydroxybutyl)benzamide

3-(1,2,4-trihydroxybutyl)benzamide (PubChem CID 171872426) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(1,2,4-trihydroxybutyl)benzamide.

Molecular Properties

Compound Name3-(1,2,4-trihydroxybutyl)benzamide
PubChem CID171872426
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(1,2,4-trihydroxybutyl)benzamide
SMILESNC(=O)c1cccc(C(O)C(O)CCO)c1
InChIInChI=1S/C11H15NO4/c12-11(16)8-3-1-2-7(6-8)10(15)9(14)4-5-13/h1-3,6,9-10,13-15H,4-5H2,(H2,12,16)
InChIKeyIYSPIMOZCNHEAL-UHFFFAOYSA-N
XLogP-0.44
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171881383
3-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892135
N,N-dimethyl-3-(1,2,4-trihydroxybutyl)benzamide
CID 171872999
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
3-(dihydroxymethyl)benzamide
CID 174476205
3-[amino(hydroxy)methyl]benzamide
CID 140561822
1-[3-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]propan-1-one
CID 171874423
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
3-[3-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]-3-oxopropanenitrile
CID 171874793
4-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892136
3-(3-carboxy-1,2-dihydroxypropyl)benzoic acid
CID 171877534
3-(4-bromo-1,2-dihydroxybutyl)benzenecarboximidamide
CID 171891979

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-trihydroxybutyl)benzamide?
The IUPAC name of 3-(1,2,4-trihydroxybutyl)benzamide (CID 171872426) is 3-(1,2,4-trihydroxybutyl)benzamide.
What is the SMILES notation for 3-(1,2,4-trihydroxybutyl)benzamide?
The canonical SMILES for 3-(1,2,4-trihydroxybutyl)benzamide is NC(=O)c1cccc(C(O)C(O)CCO)c1.
What is the InChIKey of 3-(1,2,4-trihydroxybutyl)benzamide?
The InChIKey is IYSPIMOZCNHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-11(16)8-3-1-2-7(6-8)10(15)9(14)4-5-13/h1-3,6,9-10,13-15H,4-5H2,(H2,12,16).
What are the key properties of 3-(1,2,4-trihydroxybutyl)benzamide?
3-(1,2,4-trihydroxybutyl)benzamide has a molecular weight of 225.24 g/mol, XLogP of -0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-trihydroxybutyl)benzamide is sourced from PubChem (CID 171872426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).