N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide

C18H19N3O4 — CID 4785769

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-12-6-5-7-13(2)18(12)20-17(23)11-19-16(22)10-14-8-3-4-9-15(14)21(24)25/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUBSKJHPTGDDTAP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide (PubChem CID 4785769) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide
PubChem CID4785769
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-12-6-5-7-13(2)18(12)20-17(23)11-19-16(22)10-14-8-3-4-9-15(14)21(24)25/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUBSKJHPTGDDTAP-UHFFFAOYSA-N
XLogP2.51
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide (CID 4785769) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is UBSKJHPTGDDTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-6-5-7-13(2)18(12)20-17(23)11-19-16(22)10-14-8-3-4-9-15(14)21(24)25/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4785769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).