N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide

C13H21N5O3 — CID 62682518

IUPACN-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H21N5O3/c1-3-17(4-2)8-7-15-13(19)10-5-6-12(18(20)21)11(9-10)16-14/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,19)
InChIKeyHEBGPIXXDXHNIQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.95
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide

N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide (PubChem CID 62682518) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
PubChem CID62682518
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H21N5O3/c1-3-17(4-2)8-7-15-13(19)10-5-6-12(18(20)21)11(9-10)16-14/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,19)
InChIKeyHEBGPIXXDXHNIQ-UHFFFAOYSA-N
XLogP0.95
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
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'}

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Related Compounds

3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
CID 43215642
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 62682526
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 62682894

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide (CID 62682518) is N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide is CCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide?
The InChIKey is HEBGPIXXDXHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-17(4-2)8-7-15-13(19)10-5-6-12(18(20)21)11(9-10)16-14/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide?
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide is sourced from PubChem (CID 62682518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).