4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide

C23H28N2O3 — CID 110233463

IUPAC4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2ccc(-c3cccc(C)c3)cc2)(C(N)=O)C1
InChIInChI=1S/C23H28N2O3/c1-3-5-21(26)25-12-13-28-23(16-25,22(24)27)15-18-8-10-19(11-9-18)20-7-4-6-17(2)14-20/h4,6-11,14H,3,5,12-13,15-16H2,1-2H3,(H2,24,27)
InChIKeyYKDFUYPHCCWDBJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.09
Rot. Bonds6

About 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide

4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 110233463) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID110233463
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2ccc(-c3cccc(C)c3)cc2)(C(N)=O)C1
InChIInChI=1S/C23H28N2O3/c1-3-5-21(26)25-12-13-28-23(16-25,22(24)27)15-18-8-10-19(11-9-18)20-7-4-6-17(2)14-20/h4,6-11,14H,3,5,12-13,15-16H2,1-2H3,(H2,24,27)
InChIKeyYKDFUYPHCCWDBJ-UHFFFAOYSA-N
XLogP3.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (CID 110233463) is 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is CCCC(=O)N1CCOC(Cc2ccc(-c3cccc(C)c3)cc2)(C(N)=O)C1.
What is the InChIKey of 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is YKDFUYPHCCWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-5-21(26)25-12-13-28-23(16-25,22(24)27)15-18-8-10-19(11-9-18)20-7-4-6-17(2)14-20/h4,6-11,14H,3,5,12-13,15-16H2,1-2H3,(H2,24,27).
What are the key properties of 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110233463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).