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

C25H24N2O5 — CID 108929211

IUPAC[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
SMILESCOc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccc(OC(C)=O)c3)c2)c1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-23-11-5-8-20(15-23)25(30)27-21-9-3-7-19(12-21)16-26-24(29)14-18-6-4-10-22(13-18)31-2/h3-13,15H,14,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyCWVGDXOJPHSUFO-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.73
Rot. Bonds8

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

[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108929211) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
PubChem CID108929211
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
SMILESCOc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccc(OC(C)=O)c3)c2)c1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-23-11-5-8-20(15-23)25(30)27-21-9-3-7-19(12-21)16-26-24(29)14-18-6-4-10-22(13-18)31-2/h3-13,15H,14,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyCWVGDXOJPHSUFO-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-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
[3-[[3-[[(3-methylbenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929113
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
[3-[[3-[[(4-chlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928977
[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929200
[3-[[3-[[[2-(1-adamantyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928999
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
[3-[[3-[[[(E)-3,4-dimethylpent-2-enoyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929319
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate (CID 108929211) is [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate is COc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccc(OC(C)=O)c3)c2)c1.
What is the InChIKey of [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is CWVGDXOJPHSUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(28)32-23-11-5-8-20(15-23)25(30)27-21-9-3-7-19(12-21)16-26-24(29)14-18-6-4-10-22(13-18)31-2/h3-13,15H,14,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate?
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]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-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108929211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).