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

C11H15N3O3 — CID 112701278

IUPAC3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide
SMILESCNCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-5-9(7-10(6-8)14(16)17)11(15)13-4-3-12-2/h5-7,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyZZHLQPCPYCTKRZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds5

About 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide

3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide (PubChem CID 112701278) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide
PubChem CID112701278
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide
SMILESCNCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-5-9(7-10(6-8)14(16)17)11(15)13-4-3-12-2/h5-7,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyZZHLQPCPYCTKRZ-UHFFFAOYSA-N
XLogP0.85
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
N-[2-(methylamino)ethyl]-3-methylsulfonyl-5-nitrobenzamide
CID 119504304
7-[(3-methyl-5-nitrobenzoyl)amino]heptanoic acid
CID 119350687
N-[2-(cycloheptylamino)ethyl]-3-methyl-5-nitrobenzamide;hydrochloride
CID 119621424
N-(3-azidopropyl)-3-methyl-5-nitrobenzamide
CID 113396321
N-[3-[(3,5-dinitrobenzoyl)amino]propyl]-3,5-dinitrobenzamide
CID 4148153
N-(5-chloro-4-methylpentyl)-3-methyl-5-nitrobenzamide
CID 106156824
3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308454
3-fluoro-N-[3-(methylamino)propyl]-5-nitrobenzamide
CID 81471141
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-5-nitrobenzamide
CID 104857171
N-(2-hydroxy-2-methylbutyl)-3-methyl-5-nitrobenzamide
CID 112695764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide (CID 112701278) is 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide is CNCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide?
The InChIKey is ZZHLQPCPYCTKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-5-9(7-10(6-8)14(16)17)11(15)13-4-3-12-2/h5-7,12H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide?
3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide has a molecular weight of 237.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 112701278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).