2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide

C25H28N2O3 — CID 51565466

IUPAC2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
SMILESCOc1ccc(OCCNCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-19(20-8-10-22(11-9-20)21-6-4-3-5-7-21)27-25(28)18-26-16-17-30-24-14-12-23(29-2)13-15-24/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyPQWNYNVHMXTKRM-IBGZPJMESA-N
MW404.51 g/mol
LogP4.21
Rot. Bonds10

About 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide

2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 51565466) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID51565466
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
SMILESCOc1ccc(OCCNCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-19(20-8-10-22(11-9-20)21-6-4-3-5-7-21)27-25(28)18-26-16-17-30-24-14-12-23(29-2)13-15-24/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyPQWNYNVHMXTKRM-IBGZPJMESA-N
XLogP4.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide (CID 51565466) is 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide is COc1ccc(OCCNCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is PQWNYNVHMXTKRM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19(20-8-10-22(11-9-20)21-6-4-3-5-7-21)27-25(28)18-26-16-17-30-24-14-12-23(29-2)13-15-24/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylamino]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 51565466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).