(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide

C17H19NO3 — CID 12962931

IUPAC(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-2-15(11-3-7-13(19)8-4-11)16(17(18)21)12-5-9-14(20)10-6-12/h3-10,15-16,19-20H,2H2,1H3,(H2,18,21)/t15-,16+/m1/s1
InChIKeyIISOBSQJJZEOPF-CVEARBPZSA-N
MW285.34 g/mol
LogP2.86
Rot. Bonds5

About (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide

(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide (PubChem CID 12962931) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide
PubChem CID12962931
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-2-15(11-3-7-13(19)8-4-11)16(17(18)21)12-5-9-14(20)10-6-12/h3-10,15-16,19-20H,2H2,1H3,(H2,18,21)/t15-,16+/m1/s1
InChIKeyIISOBSQJJZEOPF-CVEARBPZSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide?
The IUPAC name of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide (CID 12962931) is (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide.
What is the SMILES notation for (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide?
The canonical SMILES for (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide is CC[C@H](c1ccc(O)cc1)[C@@H](C(N)=O)c1ccc(O)cc1.
What is the InChIKey of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide?
The InChIKey is IISOBSQJJZEOPF-CVEARBPZSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-15(11-3-7-13(19)8-4-11)16(17(18)21)12-5-9-14(20)10-6-12/h3-10,15-16,19-20H,2H2,1H3,(H2,18,21)/t15-,16+/m1/s1.
What are the key properties of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide?
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide has a molecular weight of 285.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 12962931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).