(5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide

C22H29NO3 — CID 73348217

IUPAC(5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide
SMILESCC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(=O)NC)c1ccc(O)cc1
InChIInChI=1S/C22H29NO3/c1-4-22(2,17-10-14-19(25)15-11-17)20(6-5-7-21(26)23-3)16-8-12-18(24)13-9-16/h8-15,20,24-25H,4-7H2,1-3H3,(H,23,26)/t20-,22+/m1/s1
InChIKeyUDXHDKSGKWPWNR-IRLDBZIGSA-N
MW355.48 g/mol
LogP4.47
Rot. Bonds8

About (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide

(5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide (PubChem CID 73348217) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide.

Molecular Properties

Compound Name(5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide
PubChem CID73348217
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide
SMILESCC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(=O)NC)c1ccc(O)cc1
InChIInChI=1S/C22H29NO3/c1-4-22(2,17-10-14-19(25)15-11-17)20(6-5-7-21(26)23-3)16-8-12-18(24)13-9-16/h8-15,20,24-25H,4-7H2,1-3H3,(H,23,26)/t20-,22+/m1/s1
InChIKeyUDXHDKSGKWPWNR-IRLDBZIGSA-N
XLogP4.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide?
The IUPAC name of (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide (CID 73348217) is (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide.
What is the SMILES notation for (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide?
The canonical SMILES for (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide is CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(=O)NC)c1ccc(O)cc1.
What is the InChIKey of (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide?
The InChIKey is UDXHDKSGKWPWNR-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-22(2,17-10-14-19(25)15-11-17)20(6-5-7-21(26)23-3)16-8-12-18(24)13-9-16/h8-15,20,24-25H,4-7H2,1-3H3,(H,23,26)/t20-,22+/m1/s1.
What are the key properties of (5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide?
(5R,6R)-5,6-bis(4-hydroxyphenyl)-N,6-dimethyloctanamide has a molecular weight of 355.48 g/mol, XLogP of 4.47, 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)-N,6-dimethyloctanamide is sourced from PubChem (CID 73348217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).