(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide

C20H25NO3 — CID 39951259

IUPAC(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C20H25NO3/c1-13-6-9-16(10-7-13)24-14(2)19(23)21-17-12-15(20(3,4)5)8-11-18(17)22/h6-12,14,22H,1-5H3,(H,21,23)/t14-/m0/s1
InChIKeyFZCXMTCLSPQOKD-AWEZNQCLSA-N
MW327.42 g/mol
LogP4.40
Rot. Bonds4

About (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide

(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 39951259) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID39951259
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C20H25NO3/c1-13-6-9-16(10-7-13)24-14(2)19(23)21-17-12-15(20(3,4)5)8-11-18(17)22/h6-12,14,22H,1-5H3,(H,21,23)/t14-/m0/s1
InChIKeyFZCXMTCLSPQOKD-AWEZNQCLSA-N
XLogP4.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 7372209
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 51166464
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
CID 51922854
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide (CID 39951259) is (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1.
What is the InChIKey of (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is FZCXMTCLSPQOKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-6-9-16(10-7-13)24-14(2)19(23)21-17-12-15(20(3,4)5)8-11-18(17)22/h6-12,14,22H,1-5H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide?
(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 39951259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).