N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide

C20H25NO2 — CID 693427

IUPACN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-12(2)17-10-16(11-18(13(3)4)19(17)22)21-20(23)15-8-6-14(5)7-9-15/h6-13,22H,1-5H3,(H,21,23)
InChIKeyGMTGSELMBMYKMU-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.20
Rot. Bonds4

About N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide

N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide (PubChem CID 693427) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide
PubChem CID693427
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-12(2)17-10-16(11-18(13(3)4)19(17)22)21-20(23)15-8-6-14(5)7-9-15/h6-13,22H,1-5H3,(H,21,23)
InChIKeyGMTGSELMBMYKMU-UHFFFAOYSA-N
XLogP5.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide (CID 693427) is N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1.
What is the InChIKey of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide?
The InChIKey is GMTGSELMBMYKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-12(2)17-10-16(11-18(13(3)4)19(17)22)21-20(23)15-8-6-14(5)7-9-15/h6-13,22H,1-5H3,(H,21,23).
What are the key properties of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide?
N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 693427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).