[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C15H18N3O3+ — CID 8919663

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-11(13-8-5-9-21-13)16-10-14(19)17-18-15(20)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,19)(H,18,20)/p+1/t11-/m0/s1
InChIKeyKPYANCLBWWAYNH-NSHDSACASA-O
MW288.33 g/mol
LogP0.37
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8919663) has the molecular formula C15H18N3O3+ and a molecular weight of 288.33 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8919663
Molecular FormulaC15H18N3O3+
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-11(13-8-5-9-21-13)16-10-14(19)17-18-15(20)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,19)(H,18,20)/p+1/t11-/m0/s1
InChIKeyKPYANCLBWWAYNH-NSHDSACASA-O
XLogP0.37
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide
CID 8919664
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[(1R)-1-(furan-2-yl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922088
[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922277
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium
CID 8922795
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920889

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8919663) is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccco1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is KPYANCLBWWAYNH-NSHDSACASA-O. The full InChI is InChI=1S/C15H17N3O3/c1-11(13-8-5-9-21-13)16-10-14(19)17-18-15(20)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,19)(H,18,20)/p+1/t11-/m0/s1.
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 288.33 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8919663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).