N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide

C12H19N5O3 — CID 82949433

IUPACN-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N5O3/c1-8(7-16(2)3)14-12(18)9-4-5-10(15-13)11(6-9)17(19)20/h4-6,8,15H,7,13H2,1-3H3,(H,14,18)
InChIKeyIBUNIUJXRPXEPR-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.56
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide

N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide (PubChem CID 82949433) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
PubChem CID82949433
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N5O3/c1-8(7-16(2)3)14-12(18)9-4-5-10(15-13)11(6-9)17(19)20/h4-6,8,15H,7,13H2,1-3H3,(H,14,18)
InChIKeyIBUNIUJXRPXEPR-UHFFFAOYSA-N
XLogP0.56
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.56
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

4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-amino-N-(5-methylhexan-2-yl)-3-nitrobenzamide
CID 60715123
4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62247833
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
4-amino-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 62154951
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
CID 63996005
N-[4-(dimethylamino)butan-2-yl]-3-(methylamino)-4-nitrobenzamide
CID 62681770
4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
CID 62200101
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-nitrobenzoic acid
CID 61478142

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide (CID 82949433) is N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide is CC(CN(C)C)NC(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide?
The InChIKey is IBUNIUJXRPXEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-8(7-16(2)3)14-12(18)9-4-5-10(15-13)11(6-9)17(19)20/h4-6,8,15H,7,13H2,1-3H3,(H,14,18).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide?
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide has a molecular weight of 281.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 82949433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).