N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide

C22H28BrNO2 — CID 53268285

IUPACN-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H28BrNO2/c1-6-7-16-8-11-18(12-9-16)26-15(2)21(25)24-20-13-10-17(14-19(20)23)22(3,4)5/h8-15H,6-7H2,1-5H3,(H,24,25)
InChIKeyKYJILXDUDXAIFU-UHFFFAOYSA-N
MW418.38 g/mol
LogP6.11
Rot. Bonds6

About N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide

N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide (PubChem CID 53268285) has the molecular formula C22H28BrNO2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
PubChem CID53268285
Molecular FormulaC22H28BrNO2
Molecular Weight418.38 g/mol
Exact Mass417.13
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H28BrNO2/c1-6-7-16-8-11-18(12-9-16)26-15(2)21(25)24-20-13-10-17(14-19(20)23)22(3,4)5/h8-15H,6-7H2,1-5H3,(H,24,25)
InChIKeyKYJILXDUDXAIFU-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
CID 53268422
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53268112
N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 53268008
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
(2R)-N-(2-bromophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236709
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
CID 39951259

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide (CID 53268285) is N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide is CCCc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide?
The InChIKey is KYJILXDUDXAIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO2/c1-6-7-16-8-11-18(12-9-16)26-15(2)21(25)24-20-13-10-17(14-19(20)23)22(3,4)5/h8-15H,6-7H2,1-5H3,(H,24,25).
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide?
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide has a molecular weight of 418.38 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide is sourced from PubChem (CID 53268285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).