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

C24H38N2O4 — CID 23587743

IUPAC1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)N(O)CC(O)C3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C24H38N2O4/c1-2-3-15-25-21-14-10-5-4-7-13-19(21)16-20(23(25)28)24(29)26(30)17-22(27)18-11-8-6-9-12-18/h16,18,22,27,30H,2-15,17H2,1H3
InChIKeyLSCVFQRMQHNETR-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.08
Rot. Bonds7

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

1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 23587743) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID23587743
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)N(O)CC(O)C3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C24H38N2O4/c1-2-3-15-25-21-14-10-5-4-7-13-19(21)16-20(23(25)28)24(29)26(30)17-22(27)18-11-8-6-9-12-18/h16,18,22,27,30H,2-15,17H2,1H3
InChIKeyLSCVFQRMQHNETR-UHFFFAOYSA-N
XLogP4.08
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide
CID 142275704

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 23587743) is 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)N(O)CC(O)C3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is LSCVFQRMQHNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-2-3-15-25-21-14-10-5-4-7-13-19(21)16-20(23(25)28)24(29)26(30)17-22(27)18-11-8-6-9-12-18/h16,18,22,27,30H,2-15,17H2,1H3.
What are the key properties of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 23587743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).