N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide

C26H30N2O3 — CID 118434657

IUPACN-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H30N2O3/c1-19-23(10-7-11-25(19)21-8-5-4-6-9-21)18-31-24-13-12-22(26(16-24)30-3)17-27-14-15-28-20(2)29/h4-13,16,27H,14-15,17-18H2,1-3H3,(H,28,29)
InChIKeyOKNHSXIGHFKIMY-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.48
Rot. Bonds10

About N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide

N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide (PubChem CID 118434657) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide
PubChem CID118434657
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H30N2O3/c1-19-23(10-7-11-25(19)21-8-5-4-6-9-21)18-31-24-13-12-22(26(16-24)30-3)17-27-14-15-28-20(2)29/h4-13,16,27H,14-15,17-18H2,1-3H3,(H,28,29)
InChIKeyOKNHSXIGHFKIMY-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.48
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 N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide (CID 118434657) is N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide is COc1cc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide?
The InChIKey is OKNHSXIGHFKIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19-23(10-7-11-25(19)21-8-5-4-6-9-21)18-31-24-13-12-22(26(16-24)30-3)17-27-14-15-28-20(2)29/h4-13,16,27H,14-15,17-18H2,1-3H3,(H,28,29).
What are the key properties of N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide?
N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 118434657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).