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

C20H26N2O3 — CID 44608623

IUPACN-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)
InChIKeyNGIUAGMCGCGBQN-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.12
Rot. Bonds8

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

N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 44608623) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID44608623
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)
InChIKeyNGIUAGMCGCGBQN-UHFFFAOYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Suvecaltamide
CID 24765479
Ro 24-0238
CID 6439060
Propanamide, N-((1S,2S)-2-(3-cyanophenyl)-3-(4-(2-(fluoro-18f)ethoxy)phenyl)-1-methylpropyl)-2-methyl-2-((5-methyl-2-pyridinyl)oxy)-
CID 11213961
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
CID 10697355
Vpc32183
CID 44392752
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanamide
CID 11167736
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
CID 11432710
MK-9470
CID 11488705
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 44608623) is N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1.
What is the InChIKey of N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is NGIUAGMCGCGBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23).
What are the key properties of N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[4-[4-[(5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.12, 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-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 44608623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).