propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate

C25H30N2O6 — CID 84566637

IUPACpropyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)CCN(C(=O)COc2ccccc2OC)C2CC2)c1
InChIInChI=1S/C25H30N2O6/c1-3-15-32-25(30)18-7-6-8-19(16-18)26-23(28)13-14-27(20-11-12-20)24(29)17-33-22-10-5-4-9-21(22)31-2/h4-10,16,20H,3,11-15,17H2,1-2H3,(H,26,28)
InChIKeyUNCYPSKBAVBGHY-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.66
Rot. Bonds12

About propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate

propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate (PubChem CID 84566637) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
PubChem CID84566637
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Namepropyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)CCN(C(=O)COc2ccccc2OC)C2CC2)c1
InChIInChI=1S/C25H30N2O6/c1-3-15-32-25(30)18-7-6-8-19(16-18)26-23(28)13-14-27(20-11-12-20)24(29)17-33-22-10-5-4-9-21(22)31-2/h4-10,16,20H,3,11-15,17H2,1-2H3,(H,26,28)
InChIKeyUNCYPSKBAVBGHY-UHFFFAOYSA-N
XLogP3.66
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate with MolForge

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Related Compounds

N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84565965
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180963
N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84566672
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
CID 28913518
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682

Frequently Asked Questions

What is the IUPAC name of propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate?
The IUPAC name of propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate (CID 84566637) is propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate.
What is the SMILES notation for propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate?
The canonical SMILES for propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate is CCCOC(=O)c1cccc(NC(=O)CCN(C(=O)COc2ccccc2OC)C2CC2)c1.
What is the InChIKey of propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate?
The InChIKey is UNCYPSKBAVBGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-3-15-32-25(30)18-7-6-8-19(16-18)26-23(28)13-14-27(20-11-12-20)24(29)17-33-22-10-5-4-9-21(22)31-2/h4-10,16,20H,3,11-15,17H2,1-2H3,(H,26,28).
What are the key properties of propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate?
propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate has a molecular weight of 454.52 g/mol, XLogP of 3.66, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate is sourced from PubChem (CID 84566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).