2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide

C13H18N4O4 — CID 62236333

IUPAC2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1NN)C1CCOCC1
InChIInChI=1S/C13H18N4O4/c1-16(9-4-6-21-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)15-14/h2-3,8-9,15H,4-7,14H2,1H3
InChIKeyFPBXGJJGNNPYSU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.13
Rot. Bonds4

About 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide

2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide (PubChem CID 62236333) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
PubChem CID62236333
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1NN)C1CCOCC1
InChIInChI=1S/C13H18N4O4/c1-16(9-4-6-21-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)15-14/h2-3,8-9,15H,4-7,14H2,1H3
InChIKeyFPBXGJJGNNPYSU-UHFFFAOYSA-N
XLogP1.13
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.13
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-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
3-hydrazinyl-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62682884
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
5-chloro-N-methyl-2-nitro-N-(oxan-4-yl)benzamide
CID 43611011
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
N-cyclopentyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62513481
2-iodo-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitrobenzamide
CID 43377423
2-[methyl(oxolan-3-yl)amino]-5-nitrobenzoic acid
CID 82740438
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide (CID 62236333) is 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide is CN(C(=O)c1cc([N+](=O)[O-])ccc1NN)C1CCOCC1.
What is the InChIKey of 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide?
The InChIKey is FPBXGJJGNNPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-16(9-4-6-21-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)15-14/h2-3,8-9,15H,4-7,14H2,1H3.
What are the key properties of 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide?
2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 62236333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).