2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide

C22H22N2O2 — CID 17199653

IUPAC2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C22H22N2O2/c1-2-21(22(25)24-16-17-7-6-14-23-15-17)26-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-15,21H,2,16H2,1H3,(H,24,25)
InChIKeyWZZNSTKXKSRCRS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide

2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 17199653) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID17199653
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C22H22N2O2/c1-2-21(22(25)24-16-17-7-6-14-23-15-17)26-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-15,21H,2,16H2,1H3,(H,24,25)
InChIKeyWZZNSTKXKSRCRS-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 25252601
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
1-[(2R)-2-phenoxybutyl]-3-(pyridin-3-ylmethyl)urea
CID 95337146
4-[(2-phenoxybutanoylamino)methyl]benzoic acid
CID 17171934
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide (CID 17199653) is 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is WZZNSTKXKSRCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-21(22(25)24-16-17-7-6-14-23-15-17)26-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-15,21H,2,16H2,1H3,(H,24,25).
What are the key properties of 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide?
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 346.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 17199653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).