N,3,5-tritert-butyl-4-hydroxybenzamide

C19H31NO2 — CID 1203452

IUPACN,3,5-tritert-butyl-4-hydroxybenzamide
SMILESCC(C)(C)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-17(2,3)13-10-12(16(22)20-19(7,8)9)11-14(15(13)21)18(4,5)6/h10-11,21H,1-9H3,(H,20,22)
InChIKeyWPSAIYCESWUJIG-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.52
Rot. Bonds1

About N,3,5-tritert-butyl-4-hydroxybenzamide

N,3,5-tritert-butyl-4-hydroxybenzamide (PubChem CID 1203452) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N,3,5-tritert-butyl-4-hydroxybenzamide.

Molecular Properties

Compound NameN,3,5-tritert-butyl-4-hydroxybenzamide
PubChem CID1203452
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN,3,5-tritert-butyl-4-hydroxybenzamide
SMILESCC(C)(C)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-17(2,3)13-10-12(16(22)20-19(7,8)9)11-14(15(13)21)18(4,5)6/h10-11,21H,1-9H3,(H,20,22)
InChIKeyWPSAIYCESWUJIG-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 616502
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CID 21714437
N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
CID 44534359
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CID 145977071
3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N,3,5-tritert-butyl-4-hydroxybenzamide?
The IUPAC name of N,3,5-tritert-butyl-4-hydroxybenzamide (CID 1203452) is N,3,5-tritert-butyl-4-hydroxybenzamide.
What is the SMILES notation for N,3,5-tritert-butyl-4-hydroxybenzamide?
The canonical SMILES for N,3,5-tritert-butyl-4-hydroxybenzamide is CC(C)(C)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N,3,5-tritert-butyl-4-hydroxybenzamide?
The InChIKey is WPSAIYCESWUJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-17(2,3)13-10-12(16(22)20-19(7,8)9)11-14(15(13)21)18(4,5)6/h10-11,21H,1-9H3,(H,20,22).
What are the key properties of N,3,5-tritert-butyl-4-hydroxybenzamide?
N,3,5-tritert-butyl-4-hydroxybenzamide has a molecular weight of 305.46 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-tritert-butyl-4-hydroxybenzamide is sourced from PubChem (CID 1203452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).