2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide

C11H16N4O4 — CID 62338594

IUPAC2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
SMILESCC(O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H16N4O4/c1-7(16)6-14(2)11(17)9-5-8(15(18)19)3-4-10(9)13-12/h3-5,7,13,16H,6,12H2,1-2H3
InChIKeyOEMHCIOMEOXQTP-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.33
Rot. Bonds5

About 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide

2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide (PubChem CID 62338594) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
PubChem CID62338594
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
SMILESCC(O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H16N4O4/c1-7(16)6-14(2)11(17)9-5-8(15(18)19)3-4-10(9)13-12/h3-5,7,13,16H,6,12H2,1-2H3
InChIKeyOEMHCIOMEOXQTP-UHFFFAOYSA-N
XLogP0.33
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
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-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
CID 79482467
3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
CID 115549585
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 47163635
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
CID 62236333
N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
CID 115611523
N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
CID 62166351
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
CID 79481856
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide (CID 62338594) is 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide is CC(O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
The InChIKey is OEMHCIOMEOXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(16)6-14(2)11(17)9-5-8(15(18)19)3-4-10(9)13-12/h3-5,7,13,16H,6,12H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide?
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide has a molecular weight of 268.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 62338594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).