N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide

C21H21N3O3 — CID 9293667

IUPACN-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21N3O3/c25-20(14-22-21(26)19-12-7-13-27-19)23-24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,22,26)(H,23,25)
InChIKeyFXGDEUNSWBFSCM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide

N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 9293667) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID9293667
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21N3O3/c25-20(14-22-21(26)19-12-7-13-27-19)23-24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,22,26)(H,23,25)
InChIKeyFXGDEUNSWBFSCM-UHFFFAOYSA-N
XLogP2.74
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
CID 9293653
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704
N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316249
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
N,N-dibenzylfuran-2-carboxamide
CID 762503
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 17413529

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide (CID 9293667) is N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FXGDEUNSWBFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20(14-22-21(26)19-12-7-13-27-19)23-24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,22,26)(H,23,25).
What are the key properties of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide?
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9293667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).