2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide

C16H18N2O2 — CID 99817638

IUPAC2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cc1cccc(O)c1)c1ccncc1
InChIInChI=1S/C16H18N2O2/c1-2-15(13-6-8-17-9-7-13)18-16(20)11-12-4-3-5-14(19)10-12/h3-10,15,19H,2,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyVTXGGPOLAZWGIW-HNNXBMFYSA-N
MW270.33 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide

2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide (PubChem CID 99817638) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
PubChem CID99817638
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cc1cccc(O)c1)c1ccncc1
InChIInChI=1S/C16H18N2O2/c1-2-15(13-6-8-17-9-7-13)18-16(20)11-12-4-3-5-14(19)10-12/h3-10,15,19H,2,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyVTXGGPOLAZWGIW-HNNXBMFYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
CID 95776404
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide (CID 99817638) is 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide is CC[C@H](NC(=O)Cc1cccc(O)c1)c1ccncc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The InChIKey is VTXGGPOLAZWGIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-15(13-6-8-17-9-7-13)18-16(20)11-12-4-3-5-14(19)10-12/h3-10,15,19H,2,11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide is sourced from PubChem (CID 99817638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).