1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide

C20H32N2O3 — CID 11397419

IUPAC1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(C)(C)C)cc(C(=O)NC(C)(C)C)c1O
InChIInChI=1S/C20H32N2O3/c1-18(2,3)12-10-13(16(24)21-19(4,5)6)15(23)14(11-12)17(25)22-20(7,8)9/h10-11,23H,1-9H3,(H,21,24)(H,22,25)
InChIKeyOQXWNSDDVNASCM-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.75
Rot. Bonds2

About 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide

1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide (PubChem CID 11397419) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide
PubChem CID11397419
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(C)(C)C)cc(C(=O)NC(C)(C)C)c1O
InChIInChI=1S/C20H32N2O3/c1-18(2,3)12-10-13(16(24)21-19(4,5)6)15(23)14(11-12)17(25)22-20(7,8)9/h10-11,23H,1-9H3,(H,21,24)(H,22,25)
InChIKeyOQXWNSDDVNASCM-UHFFFAOYSA-N
XLogP3.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
CID 71295421
dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811
N,2,4,6-tetratert-butylbenzamide
CID 18630063
N-tert-butyl-2-hydroxybenzamide
CID 139189948
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
N,6-ditert-butyl-4-methylpyridine-3-carboxamide
CID 121391265
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
N-tert-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanamide
CID 15537310
3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
CID 10952469
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
N-tert-butyl-4-methylthiophene-3-carboxamide
CID 79770886

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide (CID 11397419) is 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide is CC(C)(C)NC(=O)c1cc(C(C)(C)C)cc(C(=O)NC(C)(C)C)c1O.
What is the InChIKey of 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is OQXWNSDDVNASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-18(2,3)12-10-13(16(24)21-19(4,5)6)15(23)14(11-12)17(25)22-20(7,8)9/h10-11,23H,1-9H3,(H,21,24)(H,22,25).
What are the key properties of 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide?
1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 11397419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).