2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide

C17H18N4O4 — CID 2276494

IUPAC2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide
SMILESC/C(=C\C(=O)Nc1ccccc1C(N)=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C17H18N4O4/c1-10(20-21-17(24)12-7-8-25-11(12)2)9-15(22)19-14-6-4-3-5-13(14)16(18)23/h3-9,20H,1-2H3,(H2,18,23)(H,19,22)(H,21,24)/b10-9+
InChIKeyYMHSAZXWHKSMAY-MDZDMXLPSA-N
MW342.36 g/mol
LogP1.46
Rot. Bonds6

About 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide

2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide (PubChem CID 2276494) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide
PubChem CID2276494
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide
SMILESC/C(=C\C(=O)Nc1ccccc1C(N)=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C17H18N4O4/c1-10(20-21-17(24)12-7-8-25-11(12)2)9-15(22)19-14-6-4-3-5-13(14)16(18)23/h3-9,20H,1-2H3,(H2,18,23)(H,19,22)(H,21,24)/b10-9+
InChIKeyYMHSAZXWHKSMAY-MDZDMXLPSA-N
XLogP1.46
TPSA126.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
CID 6013499
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide
CID 9472636
3-[2-(2-fluorobenzoyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide
CID 4130260
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756
2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
CID 139171185
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726
2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
CID 26260570

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide (CID 2276494) is 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide is C/C(=C\C(=O)Nc1ccccc1C(N)=O)NNC(=O)c1ccoc1C.
What is the InChIKey of 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide?
The InChIKey is YMHSAZXWHKSMAY-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10(20-21-17(24)12-7-8-25-11(12)2)9-15(22)19-14-6-4-3-5-13(14)16(18)23/h3-9,20H,1-2H3,(H2,18,23)(H,19,22)(H,21,24)/b10-9+.
What are the key properties of 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide?
2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide has a molecular weight of 342.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide is sourced from PubChem (CID 2276494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).