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

C17H24N2O4 — CID 5305510

IUPACN-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(OCCNC(=O)C2CCC(=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)
InChIKeyJTOZXAODTMLEDQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.64
Rot. Bonds9

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

N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 5305510) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID5305510
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(OCCNC(=O)C2CCC(=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)
InChIKeyJTOZXAODTMLEDQ-UHFFFAOYSA-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

Pidobenzone
CID 3047843
(2S)-1-{[(2S,5R)-5-(4-methoxyphenoxymethyl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11561317
(2S)-1-{[(2S,5R)-5-(phenoxymethyl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11604004
1-[2-(2-Phenoxy-ethylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10401083
(4-cyclopentyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluorophenoxy)pyrrolidin-2-yl)methanone
CID 44600846
(4-cyclobutyl-1,4-diazepan-1-yl)((2S,4R)-4-(3-fluorophenoxy)pyrrolidin-2-yl)methanone
CID 44600994
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4R)-4-(3-fluorophenoxy)pyrrolidin-2-yl)methanone
CID 44601157
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-phenoxypyrrolidin-2-yl)methanone
CID 46887887
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(3-fluorophenoxy)pyrrolidin-2-yl)methanone
CID 46887961
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluorophenoxy)pyrrolidin-2-yl)methanone
CID 46887962
(4-Cyclopentyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)pyrrolidin-2-yl]methanone
CID 56659224
(4-Cyclobutyl-1,4-diazepan-1-yl)-[4-(3-fluorophenoxy)pyrrolidin-2-yl]methanone
CID 56662705

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 5305510) is N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is CCCCOc1ccc(OCCNC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JTOZXAODTMLEDQ-UHFFFAOYSA-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).
What are the key properties of N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
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 N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5305510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).