N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide

C17H19NO2 — CID 163051912

IUPACN-[(2S)-2-benzyl-3-hydroxypropyl]benzamide
SMILESO=C(NC[C@@H](CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-13-15(11-14-7-3-1-4-8-14)12-18-17(20)16-9-5-2-6-10-16/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m0/s1
InChIKeyWUCOFUCUFFZNTH-HNNXBMFYSA-N
MW269.34 g/mol
LogP2.27
Rot. Bonds6

About N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide

N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide (PubChem CID 163051912) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-benzyl-3-hydroxypropyl]benzamide
PubChem CID163051912
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(2S)-2-benzyl-3-hydroxypropyl]benzamide
SMILESO=C(NC[C@@H](CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-13-15(11-14-7-3-1-4-8-14)12-18-17(20)16-9-5-2-6-10-16/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m0/s1
InChIKeyWUCOFUCUFFZNTH-HNNXBMFYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-phenylethyl)benzamide
CID 723105
(-)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268226
ChiRYun
CID 389617
Benzoyl-L-phenylalanine
CID 97370
(1S,2S,5S)2-(4-Glutaridylbenzyl)-5-phenyl-1-cyclohexanol
CID 444394
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-[3-(benzoylamino)propyl]benzamide
CID 255782
N-benzyl-4-oxo-4-phenylbutanamide
CID 347385
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N,N'-1,2-Ethanediylbisbenzamide
CID 69518
N-Phenethylbenzamide
CID 95083
Benzamide, N,N'-1,6-hexanediylbis-
CID 219241

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide?
The IUPAC name of N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide (CID 163051912) is N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide.
What is the SMILES notation for N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide?
The canonical SMILES for N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide is O=C(NC[C@@H](CO)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide?
The InChIKey is WUCOFUCUFFZNTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-13-15(11-14-7-3-1-4-8-14)12-18-17(20)16-9-5-2-6-10-16/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide?
N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzyl-3-hydroxypropyl]benzamide is sourced from PubChem (CID 163051912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).