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

C25H34N2O2 — CID 11153626

IUPAC1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
InChIKeyXKQLZFUAJDEKLK-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.97
Rot. Bonds6

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

1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 11153626) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID11153626
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
InChIKeyXKQLZFUAJDEKLK-UHFFFAOYSA-N
XLogP4.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 11153626) is 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is XKQLZFUAJDEKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28).
What are the key properties of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 11153626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).