N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide

C30H36FN3O4 — CID 11627787

IUPACN-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCC(C)COc1cc(F)cc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C30H36FN3O4/c1-22(2)21-38-29-16-23(15-26(31)17-29)19-33-30(35)18-27-6-3-25(20-32-27)24-4-7-28(8-5-24)37-14-11-34-9-12-36-13-10-34/h3-8,15-17,20,22H,9-14,18-19,21H2,1-2H3,(H,33,35)
InChIKeyZDUPZBDRSDYQLI-UHFFFAOYSA-N
MW521.63 g/mol
LogP4.49
Rot. Bonds12

About N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide

N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 11627787) has the molecular formula C30H36FN3O4 and a molecular weight of 521.63 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID11627787
Molecular FormulaC30H36FN3O4
Molecular Weight521.63 g/mol
Exact Mass521.27
IUPAC NameN-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCC(C)COc1cc(F)cc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C30H36FN3O4/c1-22(2)21-38-29-16-23(15-26(31)17-29)19-33-30(35)18-27-6-3-25(20-32-27)24-4-7-28(8-5-24)37-14-11-34-9-12-36-13-10-34/h3-8,15-17,20,22H,9-14,18-19,21H2,1-2H3,(H,33,35)
InChIKeyZDUPZBDRSDYQLI-UHFFFAOYSA-N
XLogP4.49
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

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(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethyl-N-[2-(pyridin-2-yl)ethyl]nonanamide
CID 10052707
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4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide (CID 11627787) is N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide is CC(C)COc1cc(F)cc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is ZDUPZBDRSDYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O4/c1-22(2)21-38-29-16-23(15-26(31)17-29)19-33-30(35)18-27-6-3-25(20-32-27)24-4-7-28(8-5-24)37-14-11-34-9-12-36-13-10-34/h3-8,15-17,20,22H,9-14,18-19,21H2,1-2H3,(H,33,35).
What are the key properties of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide?
N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 521.63 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11627787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).