[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate

C18H25NO4 — CID 7856530

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25NO4/c1-13-7-8-14(2)16(11-13)22-10-9-18(21)23-12-17(20)19-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyNFRZXZUHKSETFH-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.67
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (PubChem CID 7856530) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
PubChem CID7856530
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25NO4/c1-13-7-8-14(2)16(11-13)22-10-9-18(21)23-12-17(20)19-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyNFRZXZUHKSETFH-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.67
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] 3-(2,5-dimethylphenoxy)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (CID 7856530) is [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is Cc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The InChIKey is NFRZXZUHKSETFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-7-8-14(2)16(11-13)22-10-9-18(21)23-12-17(20)19-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate has a molecular weight of 319.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 7856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).