N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide

C17H30N2O2 — CID 50963179

IUPACN-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide
SMILESCCOCCN1CCC=C(CNC(=O)C2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-21-12-11-19-10-6-7-15(14-19)13-18-17(20)16-8-4-3-5-9-16/h7,16H,2-6,8-14H2,1H3,(H,18,20)
InChIKeyJCQKRFAXQWKVKJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.35
Rot. Bonds7

About N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide

N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide (PubChem CID 50963179) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide
PubChem CID50963179
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide
SMILESCCOCCN1CCC=C(CNC(=O)C2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-21-12-11-19-10-6-7-15(14-19)13-18-17(20)16-8-4-3-5-9-16/h7,16H,2-6,8-14H2,1H3,(H,18,20)
InChIKeyJCQKRFAXQWKVKJ-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide (CID 50963179) is N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide is CCOCCN1CCC=C(CNC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide?
The InChIKey is JCQKRFAXQWKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-21-12-11-19-10-6-7-15(14-19)13-18-17(20)16-8-4-3-5-9-16/h7,16H,2-6,8-14H2,1H3,(H,18,20).
What are the key properties of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide?
N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 50963179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).