2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide

C23H30N4O2 — CID 59243739

IUPAC2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide
SMILESCC(C)N(C(=O)c1ccc2nn(-c3cc(C(C)(C)C)ccc3O)nc2c1)C(C)C
InChIInChI=1S/C23H30N4O2/c1-14(2)26(15(3)4)22(29)16-8-10-18-19(12-16)25-27(24-18)20-13-17(23(5,6)7)9-11-21(20)28/h8-15,28H,1-7H3
InChIKeyFGQHOWBXNRBPBI-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.68
Rot. Bonds4

About 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide

2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide (PubChem CID 59243739) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide
PubChem CID59243739
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide
SMILESCC(C)N(C(=O)c1ccc2nn(-c3cc(C(C)(C)C)ccc3O)nc2c1)C(C)C
InChIInChI=1S/C23H30N4O2/c1-14(2)26(15(3)4)22(29)16-8-10-18-19(12-16)25-27(24-18)20-13-17(23(5,6)7)9-11-21(20)28/h8-15,28H,1-7H3
InChIKeyFGQHOWBXNRBPBI-UHFFFAOYSA-N
XLogP4.68
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide?
The IUPAC name of 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide (CID 59243739) is 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide?
The canonical SMILES for 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide is CC(C)N(C(=O)c1ccc2nn(-c3cc(C(C)(C)C)ccc3O)nc2c1)C(C)C.
What is the InChIKey of 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide?
The InChIKey is FGQHOWBXNRBPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-14(2)26(15(3)4)22(29)16-8-10-18-19(12-16)25-27(24-18)20-13-17(23(5,6)7)9-11-21(20)28/h8-15,28H,1-7H3.
What are the key properties of 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide?
2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-hydroxyphenyl)-N,N-di(propan-2-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 59243739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).