4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide

C13H19N3O3 — CID 81486705

IUPAC4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide
SMILESCNCC(C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-9(7-14-3)8-15-13(17)11-5-4-10(2)12(6-11)16(18)19/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyUSDVVAUVZHNJTE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds6

About 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide

4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide (PubChem CID 81486705) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide
PubChem CID81486705
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide
SMILESCNCC(C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-9(7-14-3)8-15-13(17)11-5-4-10(2)12(6-11)16(18)19/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyUSDVVAUVZHNJTE-UHFFFAOYSA-N
XLogP1.49
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
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

4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
N-(2-aminobutyl)-4-methyl-3-nitrobenzamide
CID 55230873
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788
N-(2-acetamidoethyl)-4-methyl-3-nitrobenzamide
CID 30595645
N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-3-nitrobenzamide
CID 90523386
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 83000114
4-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 18105512
3-methyl-N-[2-(methylamino)propyl]-4-nitrobenzamide
CID 120832355
propan-2-yl 3-[(4-methyl-3-nitrobenzoyl)amino]propanoate
CID 51256415
N-[2-(2-bromoethyl)pentyl]-4-methyl-3-nitrobenzamide
CID 106117843
N-(3-chloropropyl)-4-methyl-3-nitrobenzamide
CID 3422807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide (CID 81486705) is 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide is CNCC(C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide?
The InChIKey is USDVVAUVZHNJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(7-14-3)8-15-13(17)11-5-4-10(2)12(6-11)16(18)19/h4-6,9,14H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide?
4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide is sourced from PubChem (CID 81486705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).