(3R)-N-benzyl-3-hydroxypentanamide

C12H17NO2 — CID 130658384

IUPAC(3R)-N-benzyl-3-hydroxypentanamide
SMILESCC[C@@H](O)CC(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-11(14)8-12(15)13-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyZUKHASYEWWDBQL-LLVKDONJSA-N
MW207.27 g/mol
LogP1.46
Rot. Bonds5

About (3R)-N-benzyl-3-hydroxypentanamide

(3R)-N-benzyl-3-hydroxypentanamide (PubChem CID 130658384) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R)-N-benzyl-3-hydroxypentanamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-hydroxypentanamide
PubChem CID130658384
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R)-N-benzyl-3-hydroxypentanamide
SMILESCC[C@@H](O)CC(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-11(14)8-12(15)13-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyZUKHASYEWWDBQL-LLVKDONJSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3,4-dihydroxybutanamide
CID 69242116
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861
N-benzyl-4,4-difluorobutanamide
CID 132965820
N-benzyl-3-oxopentanamide
CID 10632061
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
3,4-diamino-N-benzylbutanamide
CID 57016843
N-benzyl-3-pyrrolidin-1-ium-1-ylbutanamide chloride
CID 10850513
N'-benzyl-N-propylpropanediamide
CID 108940601
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
N-benzyl-4,4-dimethylpentanamide
CID 59836653

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-hydroxypentanamide?
The IUPAC name of (3R)-N-benzyl-3-hydroxypentanamide (CID 130658384) is (3R)-N-benzyl-3-hydroxypentanamide.
What is the SMILES notation for (3R)-N-benzyl-3-hydroxypentanamide?
The canonical SMILES for (3R)-N-benzyl-3-hydroxypentanamide is CC[C@@H](O)CC(=O)NCc1ccccc1.
What is the InChIKey of (3R)-N-benzyl-3-hydroxypentanamide?
The InChIKey is ZUKHASYEWWDBQL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-11(14)8-12(15)13-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-hydroxypentanamide?
(3R)-N-benzyl-3-hydroxypentanamide has a molecular weight of 207.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-hydroxypentanamide is sourced from PubChem (CID 130658384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).