(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide

C18H23NO3 — CID 973402

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C18H23NO3/c1-13(17(20)19-12-16-6-5-11-21-16)22-15-9-7-14(8-10-15)18(2,3)4/h5-11,13H,12H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyHOFXGTPRNFDWSV-CYBMUJFWSA-N
MW301.39 g/mol
LogP3.66
Rot. Bonds5

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

(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 973402) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID973402
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C18H23NO3/c1-13(17(20)19-12-16-6-5-11-21-16)22-15-9-7-14(8-10-15)18(2,3)4/h5-11,13H,12H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyHOFXGTPRNFDWSV-CYBMUJFWSA-N
XLogP3.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8769944
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide (CID 973402) is (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is HOFXGTPRNFDWSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(17(20)19-12-16-6-5-11-21-16)22-15-9-7-14(8-10-15)18(2,3)4/h5-11,13H,12H2,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 3.66, 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-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 973402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).