N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide

C13H20N4O3 — CID 63726710

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1
InChIInChI=1S/C13H20N4O3/c1-14-10-5-6-12(17(19)20)11(9-10)13(18)16(4)8-7-15(2)3/h5-6,9,14H,7-8H2,1-4H3
InChIKeyIPVHJGQKAKTDEG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide

N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide (PubChem CID 63726710) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide
PubChem CID63726710
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1
InChIInChI=1S/C13H20N4O3/c1-14-10-5-6-12(17(19)20)11(9-10)13(18)16(4)8-7-15(2)3/h5-6,9,14H,7-8H2,1-4H3
InChIKeyIPVHJGQKAKTDEG-UHFFFAOYSA-N
XLogP1.27
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(methylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 112664132
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62179542
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
5-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 62174870
N-(3-chloropropyl)-N,5-dimethyl-2-nitrobenzamide
CID 114230809

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide (CID 63726710) is N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide?
The InChIKey is IPVHJGQKAKTDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-10-5-6-12(17(19)20)11(9-10)13(18)16(4)8-7-15(2)3/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide has a molecular weight of 280.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 63726710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).