(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide

C21H27NO3 — CID 73355850

IUPAC(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide
SMILESCC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(N)=O)c1ccc(O)cc1
InChIInChI=1S/C21H27NO3/c1-3-21(2,16-9-13-18(24)14-10-16)19(5-4-6-20(22)25)15-7-11-17(23)12-8-15/h7-14,19,23-24H,3-6H2,1-2H3,(H2,22,25)/t19-,21+/m1/s1
InChIKeyKKKHOXIQPATXCD-CTNGQTDRSA-N
MW341.45 g/mol
LogP4.20
Rot. Bonds8

About (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide

(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide (PubChem CID 73355850) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide.

Molecular Properties

Compound Name(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide
PubChem CID73355850
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide
SMILESCC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(N)=O)c1ccc(O)cc1
InChIInChI=1S/C21H27NO3/c1-3-21(2,16-9-13-18(24)14-10-16)19(5-4-6-20(22)25)15-7-11-17(23)12-8-15/h7-14,19,23-24H,3-6H2,1-2H3,(H2,22,25)/t19-,21+/m1/s1
InChIKeyKKKHOXIQPATXCD-CTNGQTDRSA-N
XLogP4.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide?
The IUPAC name of (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide (CID 73355850) is (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide.
What is the SMILES notation for (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide?
The canonical SMILES for (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide is CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(N)=O)c1ccc(O)cc1.
What is the InChIKey of (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide?
The InChIKey is KKKHOXIQPATXCD-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-21(2,16-9-13-18(24)14-10-16)19(5-4-6-20(22)25)15-7-11-17(23)12-8-15/h7-14,19,23-24H,3-6H2,1-2H3,(H2,22,25)/t19-,21+/m1/s1.
What are the key properties of (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide?
(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide has a molecular weight of 341.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide is sourced from PubChem (CID 73355850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).