N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

C24H26N2O3 — CID 44608622

IUPACN-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
InChIKeyFTJMPQXZDSMHGV-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.91
Rot. Bonds9

About N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 44608622) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID44608622
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
InChIKeyFTJMPQXZDSMHGV-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 44608622) is N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1.
What is the InChIKey of N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is FTJMPQXZDSMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27).
What are the key properties of N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 44608622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).