[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C15H18BrNO4 — CID 2376778

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C15H18BrNO4/c16-11-5-7-13(8-6-11)20-10-15(19)21-9-14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyALCWSODCXVGQLC-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.43
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 2376778) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID2376778
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C15H18BrNO4/c16-11-5-7-13(8-6-11)20-10-15(19)21-9-14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyALCWSODCXVGQLC-UHFFFAOYSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 2376778) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is O=C(COC(=O)COc1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is ALCWSODCXVGQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c16-11-5-7-13(8-6-11)20-10-15(19)21-9-14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 356.22 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 2376778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).