[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate

C25H24N2O5 — CID 108929200

IUPAC[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccccc1CC(=O)Nc1cccc(CNC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-22-11-6-9-20(14-22)25(30)26-16-18-7-5-10-21(13-18)27-24(29)15-19-8-3-4-12-23(19)31-2/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyXUJDCIGFYHNORI-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.73
Rot. Bonds8

About [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate

[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate (PubChem CID 108929200) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
PubChem CID108929200
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccccc1CC(=O)Nc1cccc(CNC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-22-11-6-9-20(14-22)25(30)26-16-18-7-5-10-21(13-18)27-24(29)15-19-8-3-4-12-23(19)31-2/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyXUJDCIGFYHNORI-UHFFFAOYSA-N
XLogP3.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211
[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929034
[3-[[3-[[(3-methylbenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929113
[3-[[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108918282
[3-[[3-[[(4-chlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928977
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
[3-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928998
[3-[[4-[[2-(2-bromophenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928432
[3-[[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929308

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate (CID 108929200) is [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate is COc1ccccc1CC(=O)Nc1cccc(CNC(=O)c2cccc(OC(C)=O)c2)c1.
What is the InChIKey of [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate?
The InChIKey is XUJDCIGFYHNORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(28)32-22-11-6-9-20(14-22)25(30)26-16-18-7-5-10-21(13-18)27-24(29)15-19-8-3-4-12-23(19)31-2/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate?
[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate has a molecular weight of 432.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108929200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).