N-butyl-3,5-ditert-butyl-2-hydroxybenzamide

C19H31NO2 — CID 126673332

IUPACN-butyl-3,5-ditert-butyl-2-hydroxybenzamide
SMILESCCCCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22)
InChIKeyQCZOVLATZXPSFR-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.52
Rot. Bonds4

About N-butyl-3,5-ditert-butyl-2-hydroxybenzamide

N-butyl-3,5-ditert-butyl-2-hydroxybenzamide (PubChem CID 126673332) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-butyl-3,5-ditert-butyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-3,5-ditert-butyl-2-hydroxybenzamide
PubChem CID126673332
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-butyl-3,5-ditert-butyl-2-hydroxybenzamide
SMILESCCCCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22)
InChIKeyQCZOVLATZXPSFR-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-ditert-butyl-2-hydroxybenzamide?
The IUPAC name of N-butyl-3,5-ditert-butyl-2-hydroxybenzamide (CID 126673332) is N-butyl-3,5-ditert-butyl-2-hydroxybenzamide.
What is the SMILES notation for N-butyl-3,5-ditert-butyl-2-hydroxybenzamide?
The canonical SMILES for N-butyl-3,5-ditert-butyl-2-hydroxybenzamide is CCCCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of N-butyl-3,5-ditert-butyl-2-hydroxybenzamide?
The InChIKey is QCZOVLATZXPSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22).
What are the key properties of N-butyl-3,5-ditert-butyl-2-hydroxybenzamide?
N-butyl-3,5-ditert-butyl-2-hydroxybenzamide has a molecular weight of 305.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-ditert-butyl-2-hydroxybenzamide is sourced from PubChem (CID 126673332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).