N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide

C19H22N4O4 — CID 9123048

IUPACN-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O4/c1-13-5-4-6-16(23(26)27)18(13)21-17(24)12-22(3)11-14-7-9-15(10-8-14)19(25)20-2/h4-10H,11-12H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyMIHSIIANDVZEHJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.33
Rot. Bonds7

About N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 9123048) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID9123048
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O4/c1-13-5-4-6-16(23(26)27)18(13)21-17(24)12-22(3)11-14-7-9-15(10-8-14)19(25)20-2/h4-10H,11-12H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyMIHSIIANDVZEHJ-UHFFFAOYSA-N
XLogP2.33
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
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'}

Analyze N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9250777
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-[benzyl(prop-2-enyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077907
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide (CID 9123048) is N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is MIHSIIANDVZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13-5-4-6-16(23(26)27)18(13)21-17(24)12-22(3)11-14-7-9-15(10-8-14)19(25)20-2/h4-10H,11-12H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 9123048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).