N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide

C12H15N3O4 — CID 18145715

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C12H15N3O4/c1-3-13-11(16)7-14-12(17)9-5-4-6-10(8(9)2)15(18)19/h4-6H,3,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyRXKHPLHKZIYUBC-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.77
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide

N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide (PubChem CID 18145715) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
PubChem CID18145715
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C12H15N3O4/c1-3-13-11(16)7-14-12(17)9-5-4-6-10(8(9)2)15(18)19/h4-6H,3,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyRXKHPLHKZIYUBC-UHFFFAOYSA-N
XLogP0.77
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.77
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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 4785770
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide
CID 18145617
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 7677590
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
CID 32938409
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-3-nitrobenzamide
CID 113295031

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide (CID 18145715) is N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide is CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide?
The InChIKey is RXKHPLHKZIYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-13-11(16)7-14-12(17)9-5-4-6-10(8(9)2)15(18)19/h4-6H,3,7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide has a molecular weight of 265.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 18145715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).