(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide

C17H26N2O3 — CID 94812564

IUPAC(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-5-18-17(21)13(4)19-16(20)10-11-22-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyCPISENXRDURGRZ-CYBMUJFWSA-N
MW306.41 g/mol
LogP2.22
Rot. Bonds8

About (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide

(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide (PubChem CID 94812564) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide
PubChem CID94812564
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-5-18-17(21)13(4)19-16(20)10-11-22-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyCPISENXRDURGRZ-CYBMUJFWSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
CID 107669047
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 104502196

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide (CID 94812564) is (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide is CCNC(=O)[C@@H](C)NC(=O)CCOc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide?
The InChIKey is CPISENXRDURGRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-18-17(21)13(4)19-16(20)10-11-22-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide?
(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide is sourced from PubChem (CID 94812564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).