N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide

C18H30N2O — CID 50963980

IUPACN-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide
SMILESC=CCCN1CC=C(CCNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-3-13-20-14-10-16(11-15-20)9-12-19-18(21)17-7-5-4-6-8-17/h2,10,17H,1,3-9,11-15H2,(H,19,21)
InChIKeyVYIJMYHASQPLLL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide (PubChem CID 50963980) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide
PubChem CID50963980
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide
SMILESC=CCCN1CC=C(CCNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-3-13-20-14-10-16(11-15-20)9-12-19-18(21)17-7-5-4-6-8-17/h2,10,17H,1,3-9,11-15H2,(H,19,21)
InChIKeyVYIJMYHASQPLLL-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide (CID 50963980) is N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide is C=CCCN1CC=C(CCNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is VYIJMYHASQPLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-13-20-14-10-16(11-15-20)9-12-19-18(21)17-7-5-4-6-8-17/h2,10,17H,1,3-9,11-15H2,(H,19,21).
What are the key properties of N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-but-3-enyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 50963980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).