N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide

C12H17N3O3 — CID 114133940

IUPACN-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
SMILESCCN(C)C(=O)CNc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-4-14(3)12(16)8-13-10-6-5-9(2)11(7-10)15(17)18/h5-7,13H,4,8H2,1-3H3
InChIKeyJCRWQIOLKVMJGP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds5

About N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide

N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide (PubChem CID 114133940) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
PubChem CID114133940
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
SMILESCCN(C)C(=O)CNc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-4-14(3)12(16)8-13-10-6-5-9(2)11(7-10)15(17)18/h5-7,13H,4,8H2,1-3H3
InChIKeyJCRWQIOLKVMJGP-UHFFFAOYSA-N
XLogP1.79
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
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-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 103915670
N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
CID 104925778
N-methyl-3-(4-methyl-3-nitroanilino)propanamide
CID 55131710
1-N,1-N-dimethyl-2-N-(4-methyl-3-nitrophenyl)propane-1,2-diamine
CID 82937547
N'-(4-methyl-3-nitrophenyl)-N-propylethane-1,2-diamine
CID 62911112
2-methyl-3-(4-methyl-3-nitroanilino)propanoic acid
CID 62912626
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
CID 43309603
1-N-(4-methyl-3-nitrophenyl)butane-1,3-diamine
CID 63251626
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
3-(4-methyl-3-nitroanilino)propane-1,2-diol
CID 66176067
2-methyl-2-(4-methyl-3-nitroanilino)propanoic acid
CID 55131899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide (CID 114133940) is N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide is CCN(C)C(=O)CNc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide?
The InChIKey is JCRWQIOLKVMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-14(3)12(16)8-13-10-6-5-9(2)11(7-10)15(17)18/h5-7,13H,4,8H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide?
N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide has a molecular weight of 251.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide is sourced from PubChem (CID 114133940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).