2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide

C20H32N2O6 — CID 10692135

IUPAC2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1cc(O)c(C(=O)N[C@H](CO)C(C)(C)C)cc1O
InChIInChI=1S/C20H32N2O6/c1-19(2,3)15(9-23)21-17(27)11-7-14(26)12(8-13(11)25)18(28)22-16(10-24)20(4,5)6/h7-8,15-16,23-26H,9-10H2,1-6H3,(H,21,27)(H,22,28)/t15-,16-/m1/s1
InChIKeyTVFMXLPCYHUGMX-HZPDHXFCSA-N
MW396.48 g/mol
LogP1.37
Rot. Bonds6

About 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide

2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide (PubChem CID 10692135) has the molecular formula C20H32N2O6 and a molecular weight of 396.48 g/mol. Its IUPAC name is 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
PubChem CID10692135
Molecular FormulaC20H32N2O6
Molecular Weight396.48 g/mol
Exact Mass396.23
IUPAC Name2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1cc(O)c(C(=O)N[C@H](CO)C(C)(C)C)cc1O
InChIInChI=1S/C20H32N2O6/c1-19(2,3)15(9-23)21-17(27)11-7-14(26)12(8-13(11)25)18(28)22-16(10-24)20(4,5)6/h7-8,15-16,23-26H,9-10H2,1-6H3,(H,21,27)(H,22,28)/t15-,16-/m1/s1
InChIKeyTVFMXLPCYHUGMX-HZPDHXFCSA-N
XLogP1.37
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
CID 114177999
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide
CID 166390435
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide (CID 10692135) is 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide is CC(C)(C)[C@@H](CO)NC(=O)c1cc(O)c(C(=O)N[C@H](CO)C(C)(C)C)cc1O.
What is the InChIKey of 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is TVFMXLPCYHUGMX-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H32N2O6/c1-19(2,3)15(9-23)21-17(27)11-7-14(26)12(8-13(11)25)18(28)22-16(10-24)20(4,5)6/h7-8,15-16,23-26H,9-10H2,1-6H3,(H,21,27)(H,22,28)/t15-,16-/m1/s1.
What are the key properties of 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide?
2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 396.48 g/mol, XLogP of 1.37, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 10692135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).