2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide

C28H43N3O4 — CID 46904012

IUPAC2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C28H43N3O4/c1-21-25(28(34)30-14-16-35-17-15-30)18-24(19-26(32)29-20-23-10-6-3-7-11-23)27(33)31(21)13-12-22-8-4-2-5-9-22/h8,23-24H,2-7,9-20H2,1H3,(H,29,32)
InChIKeyYOKMLBUVFDMIBI-UHFFFAOYSA-N
MW485.67 g/mol
LogP3.94
Rot. Bonds8

About 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide

2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 46904012) has the molecular formula C28H43N3O4 and a molecular weight of 485.67 g/mol. Its IUPAC name is 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID46904012
Molecular FormulaC28H43N3O4
Molecular Weight485.67 g/mol
Exact Mass485.33
IUPAC Name2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C28H43N3O4/c1-21-25(28(34)30-14-16-35-17-15-30)18-24(19-26(32)29-20-23-10-6-3-7-11-23)27(33)31(21)13-12-22-8-4-2-5-9-22/h8,23-24H,2-7,9-20H2,1H3,(H,29,32)
InChIKeyYOKMLBUVFDMIBI-UHFFFAOYSA-N
XLogP3.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide (CID 46904012) is 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide is CC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is YOKMLBUVFDMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O4/c1-21-25(28(34)30-14-16-35-17-15-30)18-24(19-26(32)29-20-23-10-6-3-7-11-23)27(33)31(21)13-12-22-8-4-2-5-9-22/h8,23-24H,2-7,9-20H2,1H3,(H,29,32).
What are the key properties of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide?
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 485.67 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 46904012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).