N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

C34H53NO3 — CID 134444273

About N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (PubChem CID 134444273) has the molecular formula C34H53NO3 and a molecular weight of 523.80 g/mol. Its IUPAC name is N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
• PubChem CID: 134444273
• Molecular Formula: C34H53NO3
• Molecular Weight: 523.80 g/mol
• Exact Mass: 523.40
• IUPAC Name: N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
• SMILES: CC(C)C(C)c1cc(CCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
• InChI: InChI=1S/C34H53NO3/c1-21(2)22(3)25-17-24(20-26(30(25)37)32(4,5)6)15-16-35-29(36)14-13-23-18-27(33(7,8)9)31(38)28(19-23)34(10,11)12/h17-22,37-38H,13-16H2,1-12H3,(H,35,36)
• InChIKey: KLNQDTLRRQKUFC-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.80
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?

The IUPAC name of N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (CID 134444273) is N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.

What is the SMILES notation for N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?

The canonical SMILES for N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is CC(C)C(C)c1cc(CCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.

What is the InChIKey of N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?

The InChIKey is KLNQDTLRRQKUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53NO3/c1-21(2)22(3)25-17-24(20-26(30(25)37)32(4,5)6)15-16-35-29(36)14-13-23-18-27(33(7,8)9)31(38)28(19-23)34(10,11)12/h17-22,37-38H,13-16H2,1-12H3,(H,35,36).

What are the key properties of N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?

N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide has a molecular weight of 523.80 g/mol, XLogP of 8.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 134444273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).