(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide

C20H25NO2 — CID 38017067

IUPAC(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-5-16-10-12-17(13-11-16)21-20(22)15(4)23-19-9-7-6-8-18(19)14(2)3/h6-15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyNZQUNEAJALUZAS-HNNXBMFYSA-N
MW311.43 g/mol
LogP4.78
Rot. Bonds6

About (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 38017067) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID38017067
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-5-16-10-12-17(13-11-16)21-20(22)15(4)23-19-9-7-6-8-18(19)14(2)3/h6-15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyNZQUNEAJALUZAS-HNNXBMFYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43907362
(2R)-N-(4-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92681869
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
(2S)-2-(2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100505519
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-(4-ethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 17093767
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 38017067) is (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide is CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is NZQUNEAJALUZAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-16-10-12-17(13-11-16)21-20(22)15(4)23-19-9-7-6-8-18(19)14(2)3/h6-15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 38017067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).