(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

C18H19N3O5 — CID 26856151

IUPAC(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1
InChIInChI=1S/C18H19N3O5/c1-2-25-14-7-5-13(6-8-14)21-11-12(10-16(21)22)17(23)19-20-18(24)15-4-3-9-26-15/h3-9,12H,2,10-11H2,1H3,(H,19,23)(H,20,24)/t12-/m0/s1
InChIKeyBRLRLAPWRZQNEP-LBPRGKRZSA-N
MW357.37 g/mol
LogP1.49
Rot. Bonds5

About (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 26856151) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID26856151
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1
InChIInChI=1S/C18H19N3O5/c1-2-25-14-7-5-13(6-8-14)21-11-12(10-16(21)22)17(23)19-20-18(24)15-4-3-9-26-15/h3-9,12H,2,10-11H2,1H3,(H,19,23)(H,20,24)/t12-/m0/s1
InChIKeyBRLRLAPWRZQNEP-LBPRGKRZSA-N
XLogP1.49
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061
1-(4-bromo-3-methylphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 42952579
(3S)-1-(4-ethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 7910780
(3S)-N'-[2-(2,6-dimethylphenoxy)acetyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7910973
(3S)-1-(4-ethoxyphenyl)-N'-(3-nitrobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 26534205
(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide
CID 7102804
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (CID 26856151) is (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is BRLRLAPWRZQNEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-25-14-7-5-13(6-8-14)21-11-12(10-16(21)22)17(23)19-20-18(24)15-4-3-9-26-15/h3-9,12H,2,10-11H2,1H3,(H,19,23)(H,20,24)/t12-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 357.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 26856151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).