6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C24H30N2O6 — CID 6723427

IUPAC6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H](CO)NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1
InChIInChI=1S/C24H30N2O6/c1-13-14(2)21-18(15(3)20(13)28)10-11-24(4,32-21)23(30)26-19(12-27)22(29)25-16-6-8-17(31-5)9-7-16/h6-9,19,27-28H,10-12H2,1-5H3,(H,25,29)(H,26,30)/t19-,24?/m0/s1
InChIKeyUOADJNGLGNSECN-XGLRFROISA-N
MW442.51 g/mol
LogP2.53
Rot. Bonds6

About 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 6723427) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID6723427
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H](CO)NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1
InChIInChI=1S/C24H30N2O6/c1-13-14(2)21-18(15(3)20(13)28)10-11-24(4,32-21)23(30)26-19(12-27)22(29)25-16-6-8-17(31-5)9-7-16/h6-9,19,27-28H,10-12H2,1-5H3,(H,25,29)(H,26,30)/t19-,24?/m0/s1
InChIKeyUOADJNGLGNSECN-XGLRFROISA-N
XLogP2.53
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 6723424
6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 4075296
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate
CID 146681010
N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
CID 5175739
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 100946335
N-[4-[5-(dithiolan-3-yl)pentanoylamino]phenyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 11103410
ethyl [2,5,7,8-tetramethyl-2-(phenylcarbamoyl)-3,4-dihydrochromen-6-yl] carbonate
CID 19024073
6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
CID 138027758
(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-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide
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N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 6723427) is 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is COc1ccc(NC(=O)[C@H](CO)NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1.
What is the InChIKey of 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is UOADJNGLGNSECN-XGLRFROISA-N. The full InChI is InChI=1S/C24H30N2O6/c1-13-14(2)21-18(15(3)20(13)28)10-11-24(4,32-21)23(30)26-19(12-27)22(29)25-16-6-8-17(31-5)9-7-16/h6-9,19,27-28H,10-12H2,1-5H3,(H,25,29)(H,26,30)/t19-,24?/m0/s1.
What are the key properties of 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 6723427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).