N,N-diethyl-3-(ethylamino)-2-nitrobenzamide

C13H19N3O3 — CID 115548208

IUPACN,N-diethyl-3-(ethylamino)-2-nitrobenzamide
SMILESCCNc1cccc(C(=O)N(CC)CC)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-14-11-9-7-8-10(12(11)16(18)19)13(17)15(5-2)6-3/h7-9,14H,4-6H2,1-3H3
InChIKeyFSBPQHWEHMAEHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.51
Rot. Bonds6

About N,N-diethyl-3-(ethylamino)-2-nitrobenzamide

N,N-diethyl-3-(ethylamino)-2-nitrobenzamide (PubChem CID 115548208) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N,N-diethyl-3-(ethylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(ethylamino)-2-nitrobenzamide
PubChem CID115548208
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN,N-diethyl-3-(ethylamino)-2-nitrobenzamide
SMILESCCNc1cccc(C(=O)N(CC)CC)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-14-11-9-7-8-10(12(11)16(18)19)13(17)15(5-2)6-3/h7-9,14H,4-6H2,1-3H3
InChIKeyFSBPQHWEHMAEHZ-UHFFFAOYSA-N
XLogP2.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.51
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'}

Analyze N,N-diethyl-3-(ethylamino)-2-nitrobenzamide 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

N-(2-cyanoethyl)-N-ethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548786
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684
3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide
CID 115548455
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-(ethylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 115549100
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]acetic acid
CID 54901306
1-N,3-N,3-N-triethyl-2-nitrobenzene-1,3-diamine
CID 80766771
3-bromo-N-ethyl-2-nitroaniline
CID 119085708
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
3-(ethylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408519
3-(ethylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 115548971

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(ethylamino)-2-nitrobenzamide?
The IUPAC name of N,N-diethyl-3-(ethylamino)-2-nitrobenzamide (CID 115548208) is N,N-diethyl-3-(ethylamino)-2-nitrobenzamide.
What is the SMILES notation for N,N-diethyl-3-(ethylamino)-2-nitrobenzamide?
The canonical SMILES for N,N-diethyl-3-(ethylamino)-2-nitrobenzamide is CCNc1cccc(C(=O)N(CC)CC)c1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-3-(ethylamino)-2-nitrobenzamide?
The InChIKey is FSBPQHWEHMAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-14-11-9-7-8-10(12(11)16(18)19)13(17)15(5-2)6-3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-3-(ethylamino)-2-nitrobenzamide?
N,N-diethyl-3-(ethylamino)-2-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(ethylamino)-2-nitrobenzamide is sourced from PubChem (CID 115548208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).