N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide

C19H23NO2 — CID 175696800

IUPACN-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide
SMILESCCCC[C@@H](Cc1cccc(O)c1)NC(=O)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-3-11-17(13-15-8-7-12-18(21)14-15)20-19(22)16-9-5-4-6-10-16/h4-10,12,14,17,21H,2-3,11,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyDLQNPRNAWDRMBS-KRWDZBQOSA-N
MW297.40 g/mol
LogP3.92
Rot. Bonds7

About N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide

N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide (PubChem CID 175696800) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide
PubChem CID175696800
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide
SMILESCCCC[C@@H](Cc1cccc(O)c1)NC(=O)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-3-11-17(13-15-8-7-12-18(21)14-15)20-19(22)16-9-5-4-6-10-16/h4-10,12,14,17,21H,2-3,11,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyDLQNPRNAWDRMBS-KRWDZBQOSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637
(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
N-(1-chloropentyl)benzamide
CID 154358932
(2R)-2-(butoxycarbonylamino)-3-(3-hydroxyphenyl)propanoic acid
CID 140538426
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide (CID 175696800) is N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide is CCCC[C@@H](Cc1cccc(O)c1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide?
The InChIKey is DLQNPRNAWDRMBS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-3-11-17(13-15-8-7-12-18(21)14-15)20-19(22)16-9-5-4-6-10-16/h4-10,12,14,17,21H,2-3,11,13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide?
N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide is sourced from PubChem (CID 175696800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).