(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide

C17H24N2O4 — CID 7357024

IUPAC(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(OCCNC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-3-11-22-13-4-6-14(7-5-13)23-12-10-18-17(21)15-8-9-16(20)19-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyJTOZXAODTMLEDQ-OAHLLOKOSA-N
MW320.39 g/mol
LogP1.64
Rot. Bonds9

About (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 7357024) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID7357024
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(OCCNC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-3-11-22-13-4-6-14(7-5-13)23-12-10-18-17(21)15-8-9-16(20)19-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyJTOZXAODTMLEDQ-OAHLLOKOSA-N
XLogP1.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 7357024) is (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is CCCCOc1ccc(OCCNC(=O)[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JTOZXAODTMLEDQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-3-11-22-13-4-6-14(7-5-13)23-12-10-18-17(21)15-8-9-16(20)19-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 7357024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).