[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C26H26N2O5 — CID 55366683

IUPAC[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26N2O5/c1-18(22-10-6-7-11-23(22)32-2)28-24(29)17-33-25(30)16-27-26(31)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyOWGCMKAQSVBAAE-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.51
Rot. Bonds9

About [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 55366683) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID55366683
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26N2O5/c1-18(22-10-6-7-11-23(22)32-2)28-24(29)17-33-25(30)16-27-26(31)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyOWGCMKAQSVBAAE-UHFFFAOYSA-N
XLogP3.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 8008838
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884921
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55366862
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 55366683) is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is COc1ccccc1C(C)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is OWGCMKAQSVBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-18(22-10-6-7-11-23(22)32-2)28-24(29)17-33-25(30)16-27-26(31)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 446.50 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 55366683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).