N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide

C12H18N4O3 — CID 55051038

IUPACN-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
SMILESCCC(C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-4-8(2)15(3)12(17)10-7-9(14-13)5-6-11(10)16(18)19/h5-8,14H,4,13H2,1-3H3
InChIKeyMTVMYRJHGKIGRG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds5

About N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide

N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide (PubChem CID 55051038) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
PubChem CID55051038
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
SMILESCCC(C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-4-8(2)15(3)12(17)10-7-9(14-13)5-6-11(10)16(18)19/h5-8,14H,4,13H2,1-3H3
InChIKeyMTVMYRJHGKIGRG-UHFFFAOYSA-N
XLogP1.75
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
N-butan-2-yl-5-chloro-N-methyl-2-nitrobenzamide
CID 43243558
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide?
The IUPAC name of N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide (CID 55051038) is N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide is CCC(C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide?
The InChIKey is MTVMYRJHGKIGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-8(2)15(3)12(17)10-7-9(14-13)5-6-11(10)16(18)19/h5-8,14H,4,13H2,1-3H3.
What are the key properties of N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide?
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide has a molecular weight of 266.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 55051038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).