2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide

C12H18N4O4 — CID 115936998

IUPAC2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
SMILESCOCC(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C12H18N4O4/c1-8(7-20-3)15(2)12(17)9-5-4-6-10(16(18)19)11(9)14-13/h4-6,8,14H,7,13H2,1-3H3
InChIKeyFIHNSRFGEKZHAZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.99
Rot. Bonds6

About 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide

2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide (PubChem CID 115936998) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
PubChem CID115936998
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
SMILESCOCC(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C12H18N4O4/c1-8(7-20-3)15(2)12(17)9-5-4-6-10(16(18)19)11(9)14-13/h4-6,8,14H,7,13H2,1-3H3
InChIKeyFIHNSRFGEKZHAZ-UHFFFAOYSA-N
XLogP0.99
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzamide
CID 112704636
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 112580647
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
CID 61109501
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide (CID 115936998) is 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide is COCC(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
The InChIKey is FIHNSRFGEKZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8(7-20-3)15(2)12(17)9-5-4-6-10(16(18)19)11(9)14-13/h4-6,8,14H,7,13H2,1-3H3.
What are the key properties of 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide has a molecular weight of 282.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 115936998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).