[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C26H26N2O5 — CID 35576363

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H26N2O5/c1-32-23-13-7-19(8-14-23)15-16-27-24(29)18-33-25(30)17-28-26(31)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,27,29)(H,28,31)
InChIKeyUGUWGQMJSMZUNT-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.99
Rot. Bonds10

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 35576363) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID35576363
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H26N2O5/c1-32-23-13-7-19(8-14-23)15-16-27-24(29)18-33-25(30)17-28-26(31)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,27,29)(H,28,31)
InChIKeyUGUWGQMJSMZUNT-UHFFFAOYSA-N
XLogP2.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 16596470
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 35576363) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is COc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is UGUWGQMJSMZUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-32-23-13-7-19(8-14-23)15-16-27-24(29)18-33-25(30)17-28-26(31)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,27,29)(H,28,31).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 446.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 35576363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).