[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate

C17H23NO4 — CID 9139575

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-13-6-8-15(9-7-13)21-11-10-17(20)22-12-16(19)18-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyGOVXEBPLEOHLLU-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.37
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 9139575) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
PubChem CID9139575
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-13-6-8-15(9-7-13)21-11-10-17(20)22-12-16(19)18-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyGOVXEBPLEOHLLU-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907403
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
[2-(cyclopropylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2407203
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
[2-(Cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595950
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (CID 9139575) is [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is GOVXEBPLEOHLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13-6-8-15(9-7-13)21-11-10-17(20)22-12-16(19)18-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 305.37 g/mol, XLogP of 2.37, 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-(4-methylphenoxy)propanoate is sourced from PubChem (CID 9139575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).