N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide

C13H20N4O4 — CID 115549684

IUPACN-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4/c1-4-16(8-13(2,3)19)12(18)9-6-5-7-10(15-14)11(9)17(20)21/h5-7,15,19H,4,8,14H2,1-3H3
InChIKeyISIVLDDPTISITP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.11
Rot. Bonds6

About N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide

N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide (PubChem CID 115549684) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
PubChem CID115549684
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4/c1-4-16(8-13(2,3)19)12(18)9-6-5-7-10(15-14)11(9)17(20)21/h5-7,15,19H,4,8,14H2,1-3H3
InChIKeyISIVLDDPTISITP-UHFFFAOYSA-N
XLogP1.11
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.11
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'}

Analyze N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-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,N-diethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548208
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
CID 115549585
N-(2-cyanoethyl)-N-ethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548786
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 115549688
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
CID 106098487
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide?
The IUPAC name of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide (CID 115549684) is N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide.
What is the SMILES notation for N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide?
The canonical SMILES for N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide is CCN(CC(C)(C)O)C(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide?
The InChIKey is ISIVLDDPTISITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-4-16(8-13(2,3)19)12(18)9-6-5-7-10(15-14)11(9)17(20)21/h5-7,15,19H,4,8,14H2,1-3H3.
What are the key properties of N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide?
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide has a molecular weight of 296.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide is sourced from PubChem (CID 115549684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).