1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide

C19H21N3O6 — CID 17232632

IUPAC1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H21N3O6/c1-26-15-6-2-3-7-16(15)28-12-17(23)20-21-19(25)13-9-18(24)22(10-13)11-14-5-4-8-27-14/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,25)
InChIKeyCAUKTJUYDBRAHI-UHFFFAOYSA-N
MW387.39 g/mol
LogP0.86
Rot. Bonds7

About 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide

1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 17232632) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID17232632
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H21N3O6/c1-26-15-6-2-3-7-16(15)28-12-17(23)20-21-19(25)13-9-18(24)22(10-13)11-14-5-4-8-27-14/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,25)
InChIKeyCAUKTJUYDBRAHI-UHFFFAOYSA-N
XLogP0.86
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232724
N'-(2-butoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232688
1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide
CID 17232694
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579265
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420
1-(furan-2-ylmethyl)-5-oxo-N'-(2-phenoxypropanoyl)pyrrolidine-3-carbohydrazide
CID 17232666
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232750
2-ethoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232825
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide (CID 17232632) is 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide is COc1ccccc1OCC(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is CAUKTJUYDBRAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-26-15-6-2-3-7-16(15)28-12-17(23)20-21-19(25)13-9-18(24)22(10-13)11-14-5-4-8-27-14/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 387.39 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17232632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).