3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide

C22H26BrNO3 — CID 45135151

IUPAC3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NC2CCCCC2)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C22H26BrNO3/c1-27-18-10-7-15(8-11-18)19(20-13-16(23)9-12-21(20)25)14-22(26)24-17-5-3-2-4-6-17/h7-13,17,19,25H,2-6,14H2,1H3,(H,24,26)
InChIKeyGMZOHOIMPREEPS-UHFFFAOYSA-N
MW432.36 g/mol
LogP5.13
Rot. Bonds6

About 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide

3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide (PubChem CID 45135151) has the molecular formula C22H26BrNO3 and a molecular weight of 432.36 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
PubChem CID45135151
Molecular FormulaC22H26BrNO3
Molecular Weight432.36 g/mol
Exact Mass431.11
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NC2CCCCC2)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C22H26BrNO3/c1-27-18-10-7-15(8-11-18)19(20-13-16(23)9-12-21(20)25)14-22(26)24-17-5-3-2-4-6-17/h7-13,17,19,25H,2-6,14H2,1H3,(H,24,26)
InChIKeyGMZOHOIMPREEPS-UHFFFAOYSA-N
XLogP5.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 97280000
N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
CID 45243515
(3S)-3-(5-bromo-2-hydroxyphenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)propanamide
CID 125431533
3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
CID 2925351
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
(3S)-3-[benzenesulfonyl(methyl)amino]-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 92647867
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
CID 112511397

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide (CID 45135151) is 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NC2CCCCC2)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide?
The InChIKey is GMZOHOIMPREEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrNO3/c1-27-18-10-7-15(8-11-18)19(20-13-16(23)9-12-21(20)25)14-22(26)24-17-5-3-2-4-6-17/h7-13,17,19,25H,2-6,14H2,1H3,(H,24,26).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide?
3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide has a molecular weight of 432.36 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 45135151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).