(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide

C18H22N2O3 — CID 94538513

IUPAC(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
SMILESCC(C)NC(=O)[C@H](C)Oc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C18H22N2O3/c1-13(2)20-18(21)14(3)23-17-8-6-16(7-9-17)22-12-15-5-4-10-19-11-15/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyYAZAHHLQUQSCOB-AWEZNQCLSA-N
MW314.38 g/mol
LogP2.95
Rot. Bonds7

About (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide

(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide (PubChem CID 94538513) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
PubChem CID94538513
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
SMILESCC(C)NC(=O)[C@H](C)Oc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C18H22N2O3/c1-13(2)20-18(21)14(3)23-17-8-6-16(7-9-17)22-12-15-5-4-10-19-11-15/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyYAZAHHLQUQSCOB-AWEZNQCLSA-N
XLogP2.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(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
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938

Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide?
The IUPAC name of (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide (CID 94538513) is (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide?
The canonical SMILES for (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide is CC(C)NC(=O)[C@H](C)Oc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide?
The InChIKey is YAZAHHLQUQSCOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)20-18(21)14(3)23-17-8-6-16(7-9-17)22-12-15-5-4-10-19-11-15/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide?
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide has a molecular weight of 314.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide is sourced from PubChem (CID 94538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).