2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide

C17H24N2O2 — CID 111784877

IUPAC2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
SMILESO=C(CC1=CCCCC1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H24N2O2/c20-13-15(10-16-8-4-5-9-18-16)12-19-17(21)11-14-6-2-1-3-7-14/h4-6,8-9,15,20H,1-3,7,10-13H2,(H,19,21)
InChIKeyPIMXADNSFNSPLZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide

2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide (PubChem CID 111784877) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
PubChem CID111784877
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
SMILESO=C(CC1=CCCCC1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H24N2O2/c20-13-15(10-16-8-4-5-9-18-16)12-19-17(21)11-14-6-2-1-3-7-14/h4-6,8-9,15,20H,1-3,7,10-13H2,(H,19,21)
InChIKeyPIMXADNSFNSPLZ-UHFFFAOYSA-N
XLogP2.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
CID 110027805
(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 97014692
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 75381073
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide (CID 111784877) is 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide is O=C(CC1=CCCCC1)NCC(CO)Cc1ccccn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide?
The InChIKey is PIMXADNSFNSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-13-15(10-16-8-4-5-9-18-16)12-19-17(21)11-14-6-2-1-3-7-14/h4-6,8-9,15,20H,1-3,7,10-13H2,(H,19,21).
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide?
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide is sourced from PubChem (CID 111784877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).