1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide

C22H27N3O5 — CID 17232694

IUPAC1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C22H27N3O5/c1-2-3-6-11-30-19-10-5-4-9-18(19)22(28)24-23-21(27)16-13-20(26)25(14-16)15-17-8-7-12-29-17/h4-5,7-10,12,16H,2-3,6,11,13-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyLXWWLYYHRQUGNC-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.66
Rot. Bonds9

About 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide

1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide (PubChem CID 17232694) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide
PubChem CID17232694
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C22H27N3O5/c1-2-3-6-11-30-19-10-5-4-9-18(19)22(28)24-23-21(27)16-13-20(26)25(14-16)15-17-8-7-12-29-17/h4-5,7-10,12,16H,2-3,6,11,13-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyLXWWLYYHRQUGNC-UHFFFAOYSA-N
XLogP2.66
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232688
2-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232832
2-ethoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232825
2-(2-ethoxyethoxy)-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232875
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420
1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232632
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N'-(3-bromo-4-ethoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232744
N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232740
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232750
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)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide (CID 17232694) is 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide is CCCCCOc1ccccc1C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide?
The InChIKey is LXWWLYYHRQUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-2-3-6-11-30-19-10-5-4-9-18(19)22(28)24-23-21(27)16-13-20(26)25(14-16)15-17-8-7-12-29-17/h4-5,7-10,12,16H,2-3,6,11,13-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide?
1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide has a molecular weight of 413.47 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17232694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).