N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide

C18H22N2O2 — CID 111784444

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H22N2O2/c1-14-6-2-3-7-16(14)11-18(22)20-12-15(13-21)10-17-8-4-5-9-19-17/h2-9,15,21H,10-13H2,1H3,(H,20,22)
InChIKeyPDVZAXMPNPZQIC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide (PubChem CID 111784444) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
PubChem CID111784444
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H22N2O2/c1-14-6-2-3-7-16(14)11-18(22)20-12-15(13-21)10-17-8-4-5-9-19-17/h2-9,15,21H,10-13H2,1H3,(H,20,22)
InChIKeyPDVZAXMPNPZQIC-UHFFFAOYSA-N
XLogP1.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
CID 111784445
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide (CID 111784444) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide?
The InChIKey is PDVZAXMPNPZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-6-2-3-7-16(14)11-18(22)20-12-15(13-21)10-17-8-4-5-9-19-17/h2-9,15,21H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 111784444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).