[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate

C18H19N3O6 — CID 9067562

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C18H19N3O6/c22-15(19-11-14-7-4-10-26-14)8-9-17(24)27-12-16(23)20-21-18(25)13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,23)(H,21,25)
InChIKeyKVAFZISQJYGHFN-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.68
Rot. Bonds8

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate (PubChem CID 9067562) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
PubChem CID9067562
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C18H19N3O6/c22-15(19-11-14-7-4-10-26-14)8-9-17(24)27-12-16(23)20-21-18(25)13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,23)(H,21,25)
InChIKeyKVAFZISQJYGHFN-UHFFFAOYSA-N
XLogP0.68
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46666523
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
CID 9067545
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 35987408
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8859315
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827212
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360405
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate (CID 9067562) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate is O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
The InChIKey is KVAFZISQJYGHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c22-15(19-11-14-7-4-10-26-14)8-9-17(24)27-12-16(23)20-21-18(25)13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,23)(H,21,25).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate has a molecular weight of 373.37 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate is sourced from PubChem (CID 9067562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).