(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide

C20H24BrNO2 — CID 7036907

IUPAC(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24BrNO2/c1-13-12-16(21)8-11-18(13)22-19(23)14(2)24-17-9-6-15(7-10-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)/t14-/m0/s1
InChIKeyOTEFNUKTPCFMJA-AWEZNQCLSA-N
MW390.32 g/mol
LogP5.46
Rot. Bonds4

About (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide

(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 7036907) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID7036907
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24BrNO2/c1-13-12-16(21)8-11-18(13)22-19(23)14(2)24-17-9-6-15(7-10-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)/t14-/m0/s1
InChIKeyOTEFNUKTPCFMJA-AWEZNQCLSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide (CID 7036907) is (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide is Cc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is OTEFNUKTPCFMJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-13-12-16(21)8-11-18(13)22-19(23)14(2)24-17-9-6-15(7-10-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide?
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 390.32 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 7036907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).