N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide

C24H26N2O4 — CID 166192889

IUPACN-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(CO)Cc3cccnc3)cc2)cc1
InChIInChI=1S/C24H26N2O4/c1-18-4-6-22(7-5-18)30-23-10-8-21(9-11-23)29-17-24(28)26-15-20(16-27)13-19-3-2-12-25-14-19/h2-12,14,20,27H,13,15-17H2,1H3,(H,26,28)
InChIKeyQPKCMIFSZAQFNU-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.53
Rot. Bonds10

About N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide

N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 166192889) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID166192889
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(CO)Cc3cccnc3)cc2)cc1
InChIInChI=1S/C24H26N2O4/c1-18-4-6-22(7-5-18)30-23-10-8-21(9-11-23)29-17-24(28)26-15-20(16-27)13-19-3-2-12-25-14-19/h2-12,14,20,27H,13,15-17H2,1H3,(H,26,28)
InChIKeyQPKCMIFSZAQFNU-UHFFFAOYSA-N
XLogP3.53
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 119046862
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323
2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 30129310
tert-butyl (2R)-2-[[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]carbamoyl]azetidine-1-carboxylate
CID 122152765
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 166192889) is N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCC(CO)Cc3cccnc3)cc2)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is QPKCMIFSZAQFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-18-4-6-22(7-5-18)30-23-10-8-21(9-11-23)29-17-24(28)26-15-20(16-27)13-19-3-2-12-25-14-19/h2-12,14,20,27H,13,15-17H2,1H3,(H,26,28).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 406.48 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 166192889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).