2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide

C11H16N4O4 — CID 62241467

IUPAC2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
SMILESCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H16N4O4/c1-19-6-2-5-13-11(16)9-7-8(15(17)18)3-4-10(9)14-12/h3-4,7,14H,2,5-6,12H2,1H3,(H,13,16)
InChIKeyOLDSNMNYDPLIML-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.65
Rot. Bonds7

About 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide

2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide (PubChem CID 62241467) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
PubChem CID62241467
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
SMILESCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H16N4O4/c1-19-6-2-5-13-11(16)9-7-8(15(17)18)3-4-10(9)14-12/h3-4,7,14H,2,5-6,12H2,1H3,(H,13,16)
InChIKeyOLDSNMNYDPLIML-UHFFFAOYSA-N
XLogP0.65
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
CID 82941980
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-nitrobenzamide
CID 83040350
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide (CID 62241467) is 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide is COCCCNC(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide?
The InChIKey is OLDSNMNYDPLIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-6-2-5-13-11(16)9-7-8(15(17)18)3-4-10(9)14-12/h3-4,7,14H,2,5-6,12H2,1H3,(H,13,16).
What are the key properties of 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide?
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide has a molecular weight of 268.27 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide is sourced from PubChem (CID 62241467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).