2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide

C18H21N3O3 — CID 8964424

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O3/c1-13-7-4-5-9-15(13)11-20(3)12-17(22)19-18-14(2)8-6-10-16(18)21(23)24/h4-10H,11-12H2,1-3H3,(H,19,22)
InChIKeyVJOZGWCWOSKBOI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.28
Rot. Bonds6

About 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide

2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 8964424) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID8964424
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O3/c1-13-7-4-5-9-15(13)11-20(3)12-17(22)19-18-14(2)8-6-10-16(18)21(23)24/h4-10H,11-12H2,1-3H3,(H,19,22)
InChIKeyVJOZGWCWOSKBOI-UHFFFAOYSA-N
XLogP3.28
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.28
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

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9250777
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 27215844
2-[benzyl(prop-2-enyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077907
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
methyl 4-methyl-3-[[2-[methyl-[(2-nitrophenyl)methyl]amino]acetyl]amino]benzoate
CID 46405782
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
CID 15945235

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide (CID 8964424) is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide is Cc1ccccc1CN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is VJOZGWCWOSKBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-7-4-5-9-15(13)11-20(3)12-17(22)19-18-14(2)8-6-10-16(18)21(23)24/h4-10H,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide?
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 8964424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).