N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide

C19H23NO2 — CID 2902872

IUPACN-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1O
InChIInChI=1S/C19H23NO2/c1-19(2,3)20-18(22)13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)21/h4-12,16,21H,13H2,1-3H3,(H,20,22)
InChIKeyOSEFZLVRZMUDPQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.83
Rot. Bonds4

About N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide

N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 2902872) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
PubChem CID2902872
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1O
InChIInChI=1S/C19H23NO2/c1-19(2,3)20-18(22)13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)21/h4-12,16,21H,13H2,1-3H3,(H,20,22)
InChIKeyOSEFZLVRZMUDPQ-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.83
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-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide (CID 2902872) is N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide is CC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1O.
What is the InChIKey of N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is OSEFZLVRZMUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)20-18(22)13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)21/h4-12,16,21H,13H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
N-tert-butyl-3-(2-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.83, 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-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2902872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).