N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide

C14H19N3O3 — CID 62169978

IUPACN-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)C2CC2)c1
InChIInChI=1S/C14H19N3O3/c1-3-15-10-5-8-13(17(19)20)12(9-10)14(18)16(4-2)11-6-7-11/h5,8-9,11,15H,3-4,6-7H2,1-2H3
InChIKeyIRMIWQMNEGPHRY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.65
Rot. Bonds6

About N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide

N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide (PubChem CID 62169978) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
PubChem CID62169978
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)C2CC2)c1
InChIInChI=1S/C14H19N3O3/c1-3-15-10-5-8-13(17(19)20)12(9-10)14(18)16(4-2)11-6-7-11/h5,8-9,11,15H,3-4,6-7H2,1-2H3
InChIKeyIRMIWQMNEGPHRY-UHFFFAOYSA-N
XLogP2.65
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.65
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-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62179542
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62173773
2-azabicyclo[2.2.1]heptan-2-yl-[5-(ethylamino)-2-nitrophenyl]methanone
CID 62174045
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251
(3,4-dihydroxypyrrolidin-1-yl)-[5-(ethylamino)-2-nitrophenyl]methanone
CID 106673753
N-(azetidin-3-yl)-N-ethyl-5-methyl-2-nitrobenzamide
CID 66182534
5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide (CID 62169978) is N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide?
The InChIKey is IRMIWQMNEGPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-15-10-5-8-13(17(19)20)12(9-10)14(18)16(4-2)11-6-7-11/h5,8-9,11,15H,3-4,6-7H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide?
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide is sourced from PubChem (CID 62169978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).