2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C18H22N2O2 — CID 25236333

IUPAC2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C18H22N2O2/c1-13(2)16-6-8-17(9-7-16)22-14(3)18(21)20-12-15-5-4-10-19-11-15/h4-11,13-14H,12H2,1-3H3,(H,20,21)
InChIKeyTWZMCZKSXJTEJD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 25236333) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID25236333
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C18H22N2O2/c1-13(2)16-6-8-17(9-7-16)22-14(3)18(21)20-12-15-5-4-10-19-11-15/h4-11,13-14H,12H2,1-3H3,(H,20,21)
InChIKeyTWZMCZKSXJTEJD-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
CID 108926615
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 25236333) is 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is TWZMCZKSXJTEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)16-6-8-17(9-7-16)22-14(3)18(21)20-12-15-5-4-10-19-11-15/h4-11,13-14H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 25236333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).