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

C14H22N4O3 — CID 62244026

IUPAC2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C14H22N4O3/c1-9(2)7-10(3)17(4)14(19)12-8-11(18(20)21)5-6-13(12)16-15/h5-6,8-10,16H,7,15H2,1-4H3
InChIKeyWXMYYVPYKMGUFT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.39
Rot. Bonds6

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

2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide (PubChem CID 62244026) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
PubChem CID62244026
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C14H22N4O3/c1-9(2)7-10(3)17(4)14(19)12-8-11(18(20)21)5-6-13(12)16-15/h5-6,8-10,16H,7,15H2,1-4H3
InChIKeyWXMYYVPYKMGUFT-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

2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
CID 79482467
N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
CID 62166351
2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 107200357
2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 107188279
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
4-hydrazinyl-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 63211529
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
2-bromo-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-nitrobenzamide
CID 112692035
2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
CID 62236333

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide (CID 62244026) is 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide is CC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The InChIKey is WXMYYVPYKMGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)7-10(3)17(4)14(19)12-8-11(18(20)21)5-6-13(12)16-15/h5-6,8-10,16H,7,15H2,1-4H3.
What are the key properties of 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-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 2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 62244026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).