(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide

C21H27NO2 — CID 7703328

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-6-16-7-11-18(12-8-16)22-20(23)15(2)24-19-13-9-17(10-14-19)21(3,4)5/h7-15H,6H2,1-5H3,(H,22,23)/t15-/m0/s1
InChIKeyNCBWXVNXNLESRE-HNNXBMFYSA-N
MW325.45 g/mol
LogP4.95
Rot. Bonds5

About (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide

(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide (PubChem CID 7703328) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
PubChem CID7703328
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-6-16-7-11-18(12-8-16)22-20(23)15(2)24-19-13-9-17(10-14-19)21(3,4)5/h7-15H,6H2,1-5H3,(H,22,23)/t15-/m0/s1
InChIKeyNCBWXVNXNLESRE-HNNXBMFYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
propan-2-yl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203456
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide (CID 7703328) is (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide?
The InChIKey is NCBWXVNXNLESRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-16-7-11-18(12-8-16)22-20(23)15(2)24-19-13-9-17(10-14-19)21(3,4)5/h7-15H,6H2,1-5H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 7703328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).