N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide

C11H15NO3 — CID 2133730

IUPACN-[(2S)-1,4-dihydroxybutan-2-yl]benzamide
SMILESO=C(N[C@H](CO)CCO)c1ccccc1
InChIInChI=1S/C11H15NO3/c13-7-6-10(8-14)12-11(15)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)/t10-/m0/s1
InChIKeyHDOSGIOHZHZDEH-JTQLQIEISA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds5

About N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide

N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide (PubChem CID 2133730) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1,4-dihydroxybutan-2-yl]benzamide
PubChem CID2133730
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-[(2S)-1,4-dihydroxybutan-2-yl]benzamide
SMILESO=C(N[C@H](CO)CCO)c1ccccc1
InChIInChI=1S/C11H15NO3/c13-7-6-10(8-14)12-11(15)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)/t10-/m0/s1
InChIKeyHDOSGIOHZHZDEH-JTQLQIEISA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide (CID 2133730) is N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide is O=C(N[C@H](CO)CCO)c1ccccc1.
What is the InChIKey of N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide?
The InChIKey is HDOSGIOHZHZDEH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c13-7-6-10(8-14)12-11(15)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide?
N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide has a molecular weight of 209.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,4-dihydroxybutan-2-yl]benzamide is sourced from PubChem (CID 2133730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).