N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide

C30H38N2O4 — CID 11214010

About N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide

N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide (PubChem CID 11214010) has the molecular formula C30H38N2O4 and a molecular weight of 490.64 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
• PubChem CID: 11214010
• Molecular Formula: C30H38N2O4
• Molecular Weight: 490.64 g/mol
• Exact Mass: 490.28
• IUPAC Name: N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
• SMILES: CCc1ccc(CCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)cc1
• InChI: InChI=1S/C30H38N2O4/c1-3-22-7-9-23(10-8-22)13-14-31-30(36)17-25-6-4-5-24(16-25)15-21(2)32-19-29(35)26-11-12-28(34)27(18-26)20-33/h4-12,16,18,21,29,32-35H,3,13-15,17,19-20H2,1-2H3,(H,31,36)/t21-,29+/m1/s1
• InChIKey: LMMFISKVGRYESP-PBBNMVCDSA-N
• XLogP: 3.60
• TPSA: 101.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.64
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?

The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide (CID 11214010) is N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide.

What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?

The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide is CCc1ccc(CCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)cc1.

What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?

The InChIKey is LMMFISKVGRYESP-PBBNMVCDSA-N. The full InChI is InChI=1S/C30H38N2O4/c1-3-22-7-9-23(10-8-22)13-14-31-30(36)17-25-6-4-5-24(16-25)15-21(2)32-19-29(35)26-11-12-28(34)27(18-26)20-33/h4-12,16,18,21,29,32-35H,3,13-15,17,19-20H2,1-2H3,(H,31,36)/t21-,29+/m1/s1.

What are the key properties of N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?

N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide has a molecular weight of 490.64 g/mol, XLogP of 3.60, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide is sourced from PubChem (CID 11214010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).