1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide

C20H26N4O3 — CID 55981320

IUPAC1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCCCCn2ccnc2)CC1=O
InChIInChI=1S/C20H26N4O3/c1-2-27-18-8-4-3-7-17(18)24-14-16(13-19(24)25)20(26)22-9-5-6-11-23-12-10-21-15-23/h3-4,7-8,10,12,15-16H,2,5-6,9,11,13-14H2,1H3,(H,22,26)
InChIKeyKGGGXMFBFPKCJS-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.23
Rot. Bonds9

About 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55981320) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55981320
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCCCCn2ccnc2)CC1=O
InChIInChI=1S/C20H26N4O3/c1-2-27-18-8-4-3-7-17(18)24-14-16(13-19(24)25)20(26)22-9-5-6-11-23-12-10-21-15-23/h3-4,7-8,10,12,15-16H,2,5-6,9,11,13-14H2,1H3,(H,22,26)
InChIKeyKGGGXMFBFPKCJS-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55407338
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17310605
N-(4-imidazol-1-ylbutyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55980420
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9217109
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148
1-(3,4-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17082326
1-(2-ethoxyphenyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 51208296
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(3S)-1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94617423

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 55981320) is 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NCCCCn2ccnc2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KGGGXMFBFPKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-27-18-8-4-3-7-17(18)24-14-16(13-19(24)25)20(26)22-9-5-6-11-23-12-10-21-15-23/h3-4,7-8,10,12,15-16H,2,5-6,9,11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(4-imidazol-1-ylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55981320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).