[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C16H20ClNO4 — CID 4802033

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20ClNO4/c1-11-8-12(17)6-7-14(11)21-10-16(20)22-9-15(19)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyXUPNOCOYLFMVQQ-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.63
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 4802033) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID4802033
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20ClNO4/c1-11-8-12(17)6-7-14(11)21-10-16(20)22-9-15(19)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyXUPNOCOYLFMVQQ-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 4802033) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is XUPNOCOYLFMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-11-8-12(17)6-7-14(11)21-10-16(20)22-9-15(19)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 325.79 g/mol, XLogP of 2.63, 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-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 4802033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).