3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide

C13H22N4O3 — CID 106918303

IUPAC3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C13H22N4O3/c1-8(12(18)15-3)6-17(4)7-10-5-11(9(2)20-10)13(19)16-14/h5,8H,6-7,14H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyGWFZHPVDJDRTEK-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.01
Rot. Bonds6

About 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide

3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918303) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106918303
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C13H22N4O3/c1-8(12(18)15-3)6-17(4)7-10-5-11(9(2)20-10)13(19)16-14/h5,8H,6-7,14H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyGWFZHPVDJDRTEK-UHFFFAOYSA-N
XLogP0.01
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
CID 63572711
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214220
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63584688
2-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63585605
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
CID 63579656
3-[(2-amino-4-bromophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914748
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63580274
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78827719
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide (CID 106918303) is 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)Cc1cc(C(=O)NN)c(C)o1.
What is the InChIKey of 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is GWFZHPVDJDRTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-8(12(18)15-3)6-17(4)7-10-5-11(9(2)20-10)13(19)16-14/h5,8H,6-7,14H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide?
3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).