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

C21H24N2O4 — CID 7149623

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NC1CCCC1
InChIInChI=1S/C21H24N2O4/c24-20(23-17-8-4-5-9-17)14-27-21(25)15-26-19-12-10-18(11-13-19)22-16-6-2-1-3-7-16/h1-3,6-7,10-13,17,22H,4-5,8-9,14-15H2,(H,23,24)
InChIKeyCOCYVABCJUFSFO-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.41
Rot. Bonds8

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

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (PubChem CID 7149623) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
PubChem CID7149623
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NC1CCCC1
InChIInChI=1S/C21H24N2O4/c24-20(23-17-8-4-5-9-17)14-27-21(25)15-26-19-12-10-18(11-13-19)22-16-6-2-1-3-7-16/h1-3,6-7,10-13,17,22H,4-5,8-9,14-15H2,(H,23,24)
InChIKeyCOCYVABCJUFSFO-UHFFFAOYSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149554
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 2609306
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27710023
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
CID 2609297
(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
CID 2556596
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23884530
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791219
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (CID 7149623) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is O=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The InChIKey is COCYVABCJUFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(23-17-8-4-5-9-17)14-27-21(25)15-26-19-12-10-18(11-13-19)22-16-6-2-1-3-7-16/h1-3,6-7,10-13,17,22H,4-5,8-9,14-15H2,(H,23,24).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate has a molecular weight of 368.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 7149623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).