2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide

C17H28N2O3 — CID 86798222

IUPAC2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
SMILESCOCC1=CCN(C(=O)CNC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C17H28N2O3/c1-22-13-15-7-9-19(10-8-15)17(21)12-18-16(20)11-14-5-3-2-4-6-14/h7,14H,2-6,8-13H2,1H3,(H,18,20)
InChIKeyFZGVOBQYHUADNM-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.88
Rot. Bonds6

About 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide

2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide (PubChem CID 86798222) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
PubChem CID86798222
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
SMILESCOCC1=CCN(C(=O)CNC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C17H28N2O3/c1-22-13-15-7-9-19(10-8-15)17(21)12-18-16(20)11-14-5-3-2-4-6-14/h7,14H,2-6,8-13H2,1H3,(H,18,20)
InChIKeyFZGVOBQYHUADNM-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-cyclohexyl-N-[(4-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methyl]propanamide
CID 123815884
(3S)-3-(aminomethyl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methylhexan-1-one
CID 104921270
[4-(aminomethyl)cyclohexyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963830
(3,3-dimethylpiperidin-2-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 105569250
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
CID 106975865
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 113581414
azepan-2-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113581462
(3-aminocyclohexyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113581466
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-piperidin-3-ylethanone
CID 113581473
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-methylpiperidin-2-yl)methanone
CID 113583293
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 113912694
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409607

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide (CID 86798222) is 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide is COCC1=CCN(C(=O)CNC(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is FZGVOBQYHUADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-22-13-15-7-9-19(10-8-15)17(21)12-18-16(20)11-14-5-3-2-4-6-14/h7,14H,2-6,8-13H2,1H3,(H,18,20).
What are the key properties of 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?
2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 308.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 86798222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).