N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide

C15H23N3O3 — CID 79481856

IUPACN-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
SMILESCCC(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NC
InChIInChI=1S/C15H23N3O3/c1-5-11(3)10-17(6-2)15(19)13-9-12(18(20)21)7-8-14(13)16-4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyNJMGPNKERZFQHW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds7

About N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide

N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide (PubChem CID 79481856) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
PubChem CID79481856
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
SMILESCCC(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NC
InChIInChI=1S/C15H23N3O3/c1-5-11(3)10-17(6-2)15(19)13-9-12(18(20)21)7-8-14(13)16-4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyNJMGPNKERZFQHW-UHFFFAOYSA-N
XLogP3.14
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
CID 79482467
2-chloro-N-ethyl-N-(2-methylbutyl)-4-nitrobenzamide
CID 79480486
N-(cyclobutylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 107401291
2-[[ethyl(2-methylbutyl)amino]methyl]-N-methyl-4-nitroaniline
CID 79481333
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 55454611
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 63837382
3-[ethyl-(2-methyl-5-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 62827918
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
N-ethyl-N-(2-ethylbutyl)-5-methyl-2-(methylamino)benzamide
CID 62511329
2-(methylamino)-N-(3-methylsulfinylbutyl)-5-nitrobenzamide
CID 115729431
2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide
CID 115588576

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide?
The IUPAC name of N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide (CID 79481856) is N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide?
The canonical SMILES for N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide is CCC(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NC.
What is the InChIKey of N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide?
The InChIKey is NJMGPNKERZFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-11(3)10-17(6-2)15(19)13-9-12(18(20)21)7-8-14(13)16-4/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide?
N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide is sourced from PubChem (CID 79481856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).