[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate

C26H25NO5 — CID 55404534

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO5/c1-31-24-10-6-5-9-22(24)17-27-25(29)18-32-26(30)16-15-23(28)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,29)
InChIKeyORBJACURXDSXSI-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.18
Rot. Bonds10

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate (PubChem CID 55404534) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
PubChem CID55404534
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO5/c1-31-24-10-6-5-9-22(24)17-27-25(29)18-32-26(30)16-15-23(28)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,29)
InChIKeyORBJACURXDSXSI-UHFFFAOYSA-N
XLogP4.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2644716
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535069
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432360
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate (CID 55404534) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate is COc1ccccc1CNC(=O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate?
The InChIKey is ORBJACURXDSXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c1-31-24-10-6-5-9-22(24)17-27-25(29)18-32-26(30)16-15-23(28)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,29).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate has a molecular weight of 431.49 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 55404534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).