4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide

C13H18N4O4 — CID 62247819

IUPAC4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O4/c1-16(8-10-3-2-6-21-10)13(18)9-4-5-11(15-14)12(7-9)17(19)20/h4-5,7,10,15H,2-3,6,8,14H2,1H3
InChIKeyRMYWAMYALLWTLH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.13
Rot. Bonds5

About 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide

4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 62247819) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID62247819
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O4/c1-16(8-10-3-2-6-21-10)13(18)9-4-5-11(15-14)12(7-9)17(19)20/h4-5,7,10,15H,2-3,6,8,14H2,1H3
InChIKeyRMYWAMYALLWTLH-UHFFFAOYSA-N
XLogP1.13
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62246253
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
2-chloro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62877600
[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
CID 106495807

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide (CID 62247819) is 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RMYWAMYALLWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-16(8-10-3-2-6-21-10)13(18)9-4-5-11(15-14)12(7-9)17(19)20/h4-5,7,10,15H,2-3,6,8,14H2,1H3.
What are the key properties of 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide?
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 62247819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).