(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C19H24N2O2 — CID 40609627

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C19H24N2O2/c1-14(18(22)21-13-15-6-5-11-20-12-15)23-17-9-7-16(8-10-17)19(2,3)4/h5-12,14H,13H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyMQBQOMCTDRJSDN-CQSZACIVSA-N
MW312.41 g/mol
LogP3.46
Rot. Bonds5

About (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 40609627) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID40609627
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C19H24N2O2/c1-14(18(22)21-13-15-6-5-11-20-12-15)23-17-9-7-16(8-10-17)19(2,3)4/h5-12,14H,13H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyMQBQOMCTDRJSDN-CQSZACIVSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 46469562

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 40609627) is (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is MQBQOMCTDRJSDN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(18(22)21-13-15-6-5-11-20-12-15)23-17-9-7-16(8-10-17)19(2,3)4/h5-12,14H,13H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 40609627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).