N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C25H37N3O4 — CID 90823052

IUPACN-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(=O)NC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C25H37N3O4/c1-17(29)26-24(32)25(2,3)27-22(30)20-15-19-13-9-4-5-10-14-21(19)28(23(20)31)16-18-11-7-6-8-12-18/h15,18H,4-14,16H2,1-3H3,(H,27,30)(H,26,29,32)
InChIKeyRCCJHJDWNJVHJG-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.26
Rot. Bonds5

About N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 90823052) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID90823052
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC NameN-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(=O)NC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C25H37N3O4/c1-17(29)26-24(32)25(2,3)27-22(30)20-15-19-13-9-4-5-10-14-21(19)28(23(20)31)16-18-11-7-6-8-12-18/h15,18H,4-14,16H2,1-3H3,(H,27,30)(H,26,29,32)
InChIKeyRCCJHJDWNJVHJG-UHFFFAOYSA-N
XLogP3.26
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 90823052) is N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(=O)NC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is RCCJHJDWNJVHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-17(29)26-24(32)25(2,3)27-22(30)20-15-19-13-9-4-5-10-14-21(19)28(23(20)31)16-18-11-7-6-8-12-18/h15,18H,4-14,16H2,1-3H3,(H,27,30)(H,26,29,32).
What are the key properties of N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 90823052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).