2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide

C12H20N4O4 — CID 63583278

IUPAC2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H20N4O4/c1-16(8-11(17)14-5-6-19-2)7-9-3-4-10(20-9)12(18)15-13/h3-4H,5-8,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyZZDRWEWTBJSSMK-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.92
Rot. Bonds8

About 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 63583278) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID63583278
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H20N4O4/c1-16(8-11(17)14-5-6-19-2)7-9-3-4-10(20-9)12(18)15-13/h3-4H,5-8,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyZZDRWEWTBJSSMK-UHFFFAOYSA-N
XLogP-0.92
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 63583278) is 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZZDRWEWTBJSSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-16(8-11(17)14-5-6-19-2)7-9-3-4-10(20-9)12(18)15-13/h3-4H,5-8,13H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of -0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63583278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).