[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate

C25H24N2O5 — CID 108927930

IUPAC[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
SMILESCOc1ccc(CCC(=O)Nc2cccc(NC(=O)c3cccc(OC(C)=O)c3)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-23-8-3-5-19(15-23)25(30)27-21-7-4-6-20(16-21)26-24(29)14-11-18-9-12-22(31-2)13-10-18/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHMADGKIPMONHMV-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.44
Rot. Bonds8

About [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate

[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927930) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927930
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
SMILESCOc1ccc(CCC(=O)Nc2cccc(NC(=O)c3cccc(OC(C)=O)c3)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-23-8-3-5-19(15-23)25(30)27-21-7-4-6-20(16-21)26-24(29)14-11-18-9-12-22(31-2)13-10-18/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHMADGKIPMONHMV-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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]carbamoyl]phenyl] acetate
CID 108927865
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate (CID 108927930) is [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate is COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3cccc(OC(C)=O)c3)c2)cc1.
What is the InChIKey of [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is HMADGKIPMONHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(28)32-23-8-3-5-19(15-23)25(30)27-21-7-4-6-20(16-21)26-24(29)14-11-18-9-12-22(31-2)13-10-18/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 432.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).