1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C24H36N2O2 — CID 23587729

IUPAC1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCCC3=CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C24H36N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h11,18H,2-10,12-17H2,1H3,(H,25,27)
InChIKeyLRVIDTXKUSMLTG-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.93
Rot. Bonds7

About 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 23587729) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID23587729
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCCC3=CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C24H36N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h11,18H,2-10,12-17H2,1H3,(H,25,27)
InChIKeyLRVIDTXKUSMLTG-UHFFFAOYSA-N
XLogP4.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 23587729) is 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NCCC3=CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is LRVIDTXKUSMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h11,18H,2-10,12-17H2,1H3,(H,25,27).
What are the key properties of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 23587729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).