N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide

C13H21N5O3 — CID 115937099

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H21N5O3/c1-13(2,17(3)4)8-15-12(19)9-6-5-7-10(18(20)21)11(9)16-14/h5-7,16H,8,14H2,1-4H3,(H,15,19)
InChIKeyWIYZLBKDMKIEDO-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.95
Rot. Bonds6

About N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide

N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide (PubChem CID 115937099) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
PubChem CID115937099
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H21N5O3/c1-13(2,17(3)4)8-15-12(19)9-6-5-7-10(18(20)21)11(9)16-14/h5-7,16H,8,14H2,1-4H3,(H,15,19)
InChIKeyWIYZLBKDMKIEDO-UHFFFAOYSA-N
XLogP0.95
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.95
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-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-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-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-[[2-(dimethylamino)-2-methylpropyl]amino]-3-nitrobenzoic acid
CID 115932328
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-nitrobenzamide
CID 60629816
2-N,2-N,2-trimethyl-1-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine
CID 113333905
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide (CID 115937099) is N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide is CN(C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide?
The InChIKey is WIYZLBKDMKIEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-13(2,17(3)4)8-15-12(19)9-6-5-7-10(18(20)21)11(9)16-14/h5-7,16H,8,14H2,1-4H3,(H,15,19).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide?
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 115937099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).