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

C27H39N3O4 — CID 46903967

IUPAC2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C27H39N3O4/c1-3-4-14-30-21(2)24(27(33)29-15-17-34-18-16-29)19-23(26(30)32)20-25(31)28-13-9-8-12-22-10-6-5-7-11-22/h5-7,10-11,23H,3-4,8-9,12-20H2,1-2H3,(H,28,31)
InChIKeyIRTGVDFADCHWIS-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.30
Rot. Bonds11

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

2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide (PubChem CID 46903967) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
PubChem CID46903967
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC Name2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C27H39N3O4/c1-3-4-14-30-21(2)24(27(33)29-15-17-34-18-16-29)19-23(26(30)32)20-25(31)28-13-9-8-12-22-10-6-5-7-11-22/h5-7,10-11,23H,3-4,8-9,12-20H2,1-2H3,(H,28,31)
InChIKeyIRTGVDFADCHWIS-UHFFFAOYSA-N
XLogP3.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
The IUPAC name of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide (CID 46903967) is 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
The canonical SMILES for 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide is CCCCN1C(=O)C(CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C.
What is the InChIKey of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
The InChIKey is IRTGVDFADCHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-3-4-14-30-21(2)24(27(33)29-15-17-34-18-16-29)19-23(26(30)32)20-25(31)28-13-9-8-12-22-10-6-5-7-11-22/h5-7,10-11,23H,3-4,8-9,12-20H2,1-2H3,(H,28,31).
What are the key properties of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide has a molecular weight of 469.63 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 46903967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).