N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide

C20H25NO2 — CID 3728087

IUPACN-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(C(CC(=O)NC(C)(C)C)c2ccccc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-14-10-11-16(18(22)12-14)17(15-8-6-5-7-9-15)13-19(23)21-20(2,3)4/h5-12,17,22H,13H2,1-4H3,(H,21,23)
InChIKeyWUVFNYBAWPWOOG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.14
Rot. Bonds4

About N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide

N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide (PubChem CID 3728087) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
PubChem CID3728087
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(C(CC(=O)NC(C)(C)C)c2ccccc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-14-10-11-16(18(22)12-14)17(15-8-6-5-7-9-15)13-19(23)21-20(2,3)4/h5-12,17,22H,13H2,1-4H3,(H,21,23)
InChIKeyWUVFNYBAWPWOOG-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide (CID 3728087) is N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(C(CC(=O)NC(C)(C)C)c2ccccc2)c(O)c1.
What is the InChIKey of N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is WUVFNYBAWPWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-10-11-16(18(22)12-14)17(15-8-6-5-7-9-15)13-19(23)21-20(2,3)4/h5-12,17,22H,13H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 3728087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).