(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C16H23NO4 — CID 67262914

IUPAC(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCO)O2
InChIInChI=1S/C16H23NO4/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,21-14)15(20)17-7-8-18/h18-19H,5-8H2,1-4H3,(H,17,20)/t16-/m0/s1
InChIKeyBFATWCQXCJEFFQ-INIZCTEOSA-N
MW293.36 g/mol
LogP1.51
Rot. Bonds3

About (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 67262914) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID67262914
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCO)O2
InChIInChI=1S/C16H23NO4/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,21-14)15(20)17-7-8-18/h18-19H,5-8H2,1-4H3,(H,17,20)/t16-/m0/s1
InChIKeyBFATWCQXCJEFFQ-INIZCTEOSA-N
XLogP1.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 67262914) is (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCO)O2.
What is the InChIKey of (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is BFATWCQXCJEFFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO4/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,21-14)15(20)17-7-8-18/h18-19H,5-8H2,1-4H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 67262914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).