N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide

C20H23NO2 — CID 146081814

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2cccc(C3CC3)c2)c1
InChIInChI=1S/C20H23NO2/c1-20(2,3)16-9-10-18(22)17(12-16)21-19(23)15-6-4-5-14(11-15)13-7-8-13/h4-6,9-13,22H,7-8H2,1-3H3,(H,21,23)
InChIKeyPQBPPEUKNORMKW-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.82
Rot. Bonds3

About N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide (PubChem CID 146081814) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
PubChem CID146081814
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2cccc(C3CC3)c2)c1
InChIInChI=1S/C20H23NO2/c1-20(2,3)16-9-10-18(22)17(12-16)21-19(23)15-6-4-5-14(11-15)13-7-8-13/h4-6,9-13,22H,7-8H2,1-3H3,(H,21,23)
InChIKeyPQBPPEUKNORMKW-UHFFFAOYSA-N
XLogP4.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
1-N,3-N-bis[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
CID 58868378
N-(5-tert-butyl-2-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 27672924
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid
CID 151295771
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide (CID 146081814) is N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide is CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(C3CC3)c2)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide?
The InChIKey is PQBPPEUKNORMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)16-9-10-18(22)17(12-16)21-19(23)15-6-4-5-14(11-15)13-7-8-13/h4-6,9-13,22H,7-8H2,1-3H3,(H,21,23).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide is sourced from PubChem (CID 146081814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).