5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide

C12H18N4O4 — CID 63007889

IUPAC5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
SMILESCOCCCN(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-15(6-3-7-20-2)12(17)10-8-9(14-13)4-5-11(10)16(18)19/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyVWQQYQCKSPLLJI-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.99
Rot. Bonds7

About 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide

5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide (PubChem CID 63007889) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
PubChem CID63007889
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
SMILESCOCCCN(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-15(6-3-7-20-2)12(17)10-8-9(14-13)4-5-11(10)16(18)19/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyVWQQYQCKSPLLJI-UHFFFAOYSA-N
XLogP0.99
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4,5-difluoro-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63008756
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
4-fluoro-N-(3-methoxypropyl)-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 63009858
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 63726710
N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62173773
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
2-amino-6-fluoro-N-(3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107123144
N-methyl-5-(methylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 112664132

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide (CID 63007889) is 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide is COCCCN(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide?
The InChIKey is VWQQYQCKSPLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15(6-3-7-20-2)12(17)10-8-9(14-13)4-5-11(10)16(18)19/h4-5,8,14H,3,6-7,13H2,1-2H3.
What are the key properties of 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide?
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide has a molecular weight of 282.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 63007889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).