(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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Related Compounds

(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95159054
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
6-(4-butoxybenzoyl)piperidin-2-one
CID 54128984
(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
CID 95040802
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
1-O-methyl 4-O-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethyl] (E)-but-2-enedioate
CID 126495729
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946

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).