5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide

C14H22N4O3 — CID 62241474

IUPAC5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-9(2)7-10(3)17(4)14(19)12-8-11(16-15)5-6-13(12)18(20)21/h5-6,8-10,16H,7,15H2,1-4H3
InChIKeyFCNMEIFJUBIBLZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.39
Rot. Bonds6

About 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide

5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide (PubChem CID 62241474) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
PubChem CID62241474
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-9(2)7-10(3)17(4)14(19)12-8-11(16-15)5-6-13(12)18(20)21/h5-6,8-10,16H,7,15H2,1-4H3
InChIKeyFCNMEIFJUBIBLZ-UHFFFAOYSA-N
XLogP2.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.39
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

N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
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
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide (CID 62241474) is 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide is CC(C)CC(C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide?
The InChIKey is FCNMEIFJUBIBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)7-10(3)17(4)14(19)12-8-11(16-15)5-6-13(12)18(20)21/h5-6,8-10,16H,7,15H2,1-4H3.
What are the key properties of 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide?
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide has a molecular weight of 294.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 62241474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).