N-benzyl-3,4-dihydroxybutanamide

C11H15NO3 — CID 69242116

IUPACN-benzyl-3,4-dihydroxybutanamide
SMILESO=C(CC(O)CO)NCc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-10(14)6-11(15)12-7-9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)
InChIKeyVBXGCLMWKLDOEZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.05
Rot. Bonds5

About N-benzyl-3,4-dihydroxybutanamide

N-benzyl-3,4-dihydroxybutanamide (PubChem CID 69242116) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-benzyl-3,4-dihydroxybutanamide.

Molecular Properties

Compound NameN-benzyl-3,4-dihydroxybutanamide
PubChem CID69242116
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-benzyl-3,4-dihydroxybutanamide
SMILESO=C(CC(O)CO)NCc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-10(14)6-11(15)12-7-9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)
InChIKeyVBXGCLMWKLDOEZ-UHFFFAOYSA-N
XLogP0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861
3,4-diamino-N-benzylbutanamide
CID 57016843
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
N-benzyl-3-pyrrolidin-1-ium-1-ylbutanamide chloride
CID 10850513
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
N-benzyl-3-chloropropanamide
CID 10391

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dihydroxybutanamide?
The IUPAC name of N-benzyl-3,4-dihydroxybutanamide (CID 69242116) is N-benzyl-3,4-dihydroxybutanamide.
What is the SMILES notation for N-benzyl-3,4-dihydroxybutanamide?
The canonical SMILES for N-benzyl-3,4-dihydroxybutanamide is O=C(CC(O)CO)NCc1ccccc1.
What is the InChIKey of N-benzyl-3,4-dihydroxybutanamide?
The InChIKey is VBXGCLMWKLDOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-10(14)6-11(15)12-7-9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15).
What are the key properties of N-benzyl-3,4-dihydroxybutanamide?
N-benzyl-3,4-dihydroxybutanamide has a molecular weight of 209.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dihydroxybutanamide is sourced from PubChem (CID 69242116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).