(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide

C17H23N5O3 — CID 124752463

IUPAC(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCc1nn[nH]n1)O2
InChIInChI=1S/C17H23N5O3/c1-9-10(2)15-12(11(3)14(9)23)5-7-17(4,25-15)16(24)18-8-6-13-19-21-22-20-13/h23H,5-8H2,1-4H3,(H,18,24)(H,19,20,21,22)/t17-/m1/s1
InChIKeyJMGHORKDXUNLEH-QGZVFWFLSA-N
MW345.40 g/mol
LogP1.27
Rot. Bonds4

About (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide

(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 124752463) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID124752463
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCc1nn[nH]n1)O2
InChIInChI=1S/C17H23N5O3/c1-9-10(2)15-12(11(3)14(9)23)5-7-17(4,25-15)16(24)18-8-6-13-19-21-22-20-13/h23H,5-8H2,1-4H3,(H,18,24)(H,19,20,21,22)/t17-/m1/s1
InChIKeyJMGHORKDXUNLEH-QGZVFWFLSA-N
XLogP1.27
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 67262914
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
6-hydroxy-2,5,7,8-tetramethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 91782940
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124750425
6-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 101082113
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 91837007
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 99973607
6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
CID 138027758
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide (CID 124752463) is (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCc1nn[nH]n1)O2.
What is the InChIKey of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is JMGHORKDXUNLEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-9-10(2)15-12(11(3)14(9)23)5-7-17(4,25-15)16(24)18-8-6-13-19-21-22-20-13/h23H,5-8H2,1-4H3,(H,18,24)(H,19,20,21,22)/t17-/m1/s1.
What are the key properties of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 124752463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).