[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate

C16H20N2O5 — CID 2627797

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O5/c1-22-13-9-5-4-8-12(13)15(20)23-10-14(19)18-16(21)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,17,18,19,21)
InChIKeyYQUNABYANFLTHP-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.62
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2627797) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2627797
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O5/c1-22-13-9-5-4-8-12(13)15(20)23-10-14(19)18-16(21)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,17,18,19,21)
InChIKeyYQUNABYANFLTHP-UHFFFAOYSA-N
XLogP1.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate (CID 2627797) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is YQUNABYANFLTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-13-9-5-4-8-12(13)15(20)23-10-14(19)18-16(21)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 320.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2627797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).