N-[(2S)-1-hydroxybutan-2-yl]benzamide

C11H15NO2 — CID 13129547

IUPACN-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-10(8-13)12-11(14)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyVBJINWBNLPUWPL-JTQLQIEISA-N
MW193.25 g/mol
LogP1.19
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]benzamide

N-[(2S)-1-hydroxybutan-2-yl]benzamide (PubChem CID 13129547) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]benzamide
PubChem CID13129547
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-10(8-13)12-11(14)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyVBJINWBNLPUWPL-JTQLQIEISA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
(2R)-2-benzamidobutane-1-sulfinic acid
CID 10776490
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]benzamide (CID 13129547) is N-[(2S)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]benzamide is CC[C@@H](CO)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is VBJINWBNLPUWPL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-10(8-13)12-11(14)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]benzamide?
N-[(2S)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 193.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 13129547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).