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

C22H28N2O3 — CID 44608464

IUPACN-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1
InChIInChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25)
InChIKeyJOPQLBJOBLLJOI-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds8

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

N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 44608464) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID44608464
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1
InChIInChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25)
InChIKeyJOPQLBJOBLLJOI-UHFFFAOYSA-N
XLogP4.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 44608464) is N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1.
What is the InChIKey of N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is JOPQLBJOBLLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25).
What are the key properties of N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-cyclopentyloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 44608464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).