N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide

C26H28N2O4 — CID 134226959

IUPACN-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)nc2)cc1
InChIInChI=1S/C26H28N2O4/c1-18(28-19(2)29)22-9-11-23(12-10-22)30-17-21-8-13-26(27-15-21)32-25-5-3-4-24(14-25)31-16-20-6-7-20/h3-5,8-15,18,20H,6-7,16-17H2,1-2H3,(H,28,29)
InChIKeyRCIYLIQKUICBRR-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.44
Rot. Bonds10

About N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide

N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide (PubChem CID 134226959) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide
PubChem CID134226959
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)nc2)cc1
InChIInChI=1S/C26H28N2O4/c1-18(28-19(2)29)22-9-11-23(12-10-22)30-17-21-8-13-26(27-15-21)32-25-5-3-4-24(14-25)31-16-20-6-7-20/h3-5,8-15,18,20H,6-7,16-17H2,1-2H3,(H,28,29)
InChIKeyRCIYLIQKUICBRR-UHFFFAOYSA-N
XLogP5.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11739408
[3-[[5-(5H-chromeno[2,3-b]pyridin-8-yloxy)pentyl-methylamino]methyl]phenyl] N-heptylcarbamate
CID 127043698
N-[3-[(3,5-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712250
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347357
(2E)-5,5-bis(4-methoxyphenyl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 14347358
5-(4-Methoxy-phenyl)-5-phenyl-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347379
(2E,4E)-5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 14347380
5-Cyclohexyl-5-(4-methoxy-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347392
(2E,4Z)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 14347393
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid (1-ethyl-4-pyridin-3-yl-butyl)-amide
CID 14547295
(2E)-5,5-bis(4-methoxyphenyl)-N-[(3S)-6-pyridin-3-ylhexan-3-yl]penta-2,4-dienamide
CID 14547296
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid [2-(pyridin-3-ylmethoxy)-ethyl]-amide
CID 14547300

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide (CID 134226959) is N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)nc2)cc1.
What is the InChIKey of N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide?
The InChIKey is RCIYLIQKUICBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(28-19(2)29)22-9-11-23(12-10-22)30-17-21-8-13-26(27-15-21)32-25-5-3-4-24(14-25)31-16-20-6-7-20/h3-5,8-15,18,20H,6-7,16-17H2,1-2H3,(H,28,29).
What are the key properties of N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide?
N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]methoxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 134226959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).