N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide

C23H29N3O5 — CID 17232750

IUPACN'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C23H29N3O5/c1-4-15(2)19-9-5-6-10-20(19)31-16(3)22(28)24-25-23(29)17-12-21(27)26(13-17)14-18-8-7-11-30-18/h5-11,15-17H,4,12-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDXYXRQLJBZLSLH-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.76
Rot. Bonds8

About N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide

N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 17232750) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID17232750
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C23H29N3O5/c1-4-15(2)19-9-5-6-10-20(19)31-16(3)22(28)24-25-23(29)17-12-21(27)26(13-17)14-18-8-7-11-30-18/h5-11,15-17H,4,12-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDXYXRQLJBZLSLH-UHFFFAOYSA-N
XLogP2.76
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.76
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-(furan-2-ylmethyl)-5-oxo-N'-(2-phenoxypropanoyl)pyrrolidine-3-carbohydrazide
CID 17232666
1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232632
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
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816
N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232740
2-ethoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232825
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8954559
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(3-bromo-4-ethoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232744
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide (CID 17232750) is N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide is CCC(C)c1ccccc1OC(C)C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is DXYXRQLJBZLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-4-15(2)19-9-5-6-10-20(19)31-16(3)22(28)24-25-23(29)17-12-21(27)26(13-17)14-18-8-7-11-30-18/h5-11,15-17H,4,12-14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 427.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17232750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).