[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C17H21N4O4+ — CID 8785337

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N4O4/c1-12-5-7-13(8-6-12)18-15(22)10-21(2)11-16(23)19-20-17(24)14-4-3-9-25-14/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)/p+1
InChIKeyNPHTVFIDUMQYFW-UHFFFAOYSA-O
MW345.38 g/mol
LogP-0.50
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8785337) has the molecular formula C17H21N4O4+ and a molecular weight of 345.38 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8785337
Molecular FormulaC17H21N4O4+
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N4O4/c1-12-5-7-13(8-6-12)18-15(22)10-21(2)11-16(23)19-20-17(24)14-4-3-9-25-14/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)/p+1
InChIKeyNPHTVFIDUMQYFW-UHFFFAOYSA-O
XLogP-0.50
TPSA104.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9476583
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8785337) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is NPHTVFIDUMQYFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N4O4/c1-12-5-7-13(8-6-12)18-15(22)10-21(2)11-16(23)19-20-17(24)14-4-3-9-25-14/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)/p+1.
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 345.38 g/mol, XLogP of -0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8785337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).