2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide

C25H29F3N4O5 — CID 10481845

IUPAC2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2CCOCC2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C25H29F3N4O5/c1-16(2)22(23(35)25(26,27)28)30-21(34)15-32-19(17-6-4-3-5-7-17)9-8-18(24(32)36)29-20(33)14-31-10-12-37-13-11-31/h3-9,16,22H,10-15H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyDLHJWVOSADZOLP-UHFFFAOYSA-N
MW522.52 g/mol
LogP2.06
Rot. Bonds9

About 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide

2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide (PubChem CID 10481845) has the molecular formula C25H29F3N4O5 and a molecular weight of 522.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
PubChem CID10481845
Molecular FormulaC25H29F3N4O5
Molecular Weight522.52 g/mol
Exact Mass522.21
IUPAC Name2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2CCOCC2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C25H29F3N4O5/c1-16(2)22(23(35)25(26,27)28)30-21(34)15-32-19(17-6-4-3-5-7-17)9-8-18(24(32)36)29-20(33)14-31-10-12-37-13-11-31/h3-9,16,22H,10-15H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyDLHJWVOSADZOLP-UHFFFAOYSA-N
XLogP2.06
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.52
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide (CID 10481845) is 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2CCOCC2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
The InChIKey is DLHJWVOSADZOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O5/c1-16(2)22(23(35)25(26,27)28)30-21(34)15-32-19(17-6-4-3-5-7-17)9-8-18(24(32)36)29-20(33)14-31-10-12-37-13-11-31/h3-9,16,22H,10-15H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide has a molecular weight of 522.52 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide is sourced from PubChem (CID 10481845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).