4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide

C13H21N5O3 — CID 62640596

IUPAC4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N5O3/c1-9(2)17(3)7-6-15-13(19)10-4-5-11(16-14)12(8-10)18(20)21/h4-5,8-9,16H,6-7,14H2,1-3H3,(H,15,19)
InChIKeyQQEFNJZIOMFRDP-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.95
Rot. Bonds7

About 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide

4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide (PubChem CID 62640596) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
PubChem CID62640596
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N5O3/c1-9(2)17(3)7-6-15-13(19)10-4-5-11(16-14)12(8-10)18(20)21/h4-5,8-9,16H,6-7,14H2,1-3H3,(H,15,19)
InChIKeyQQEFNJZIOMFRDP-UHFFFAOYSA-N
XLogP0.95
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
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

N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
CID 115522197
N-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]-4-nitrobenzamide
CID 82993036
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
N-[2-(dimethylamino)ethyl]-4-methyl-3-nitrobenzamide
CID 878179
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide (CID 62640596) is 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide is CC(C)N(C)CCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
The InChIKey is QQEFNJZIOMFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)17(3)7-6-15-13(19)10-4-5-11(16-14)12(8-10)18(20)21/h4-5,8-9,16H,6-7,14H2,1-3H3,(H,15,19).
What are the key properties of 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide is sourced from PubChem (CID 62640596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).