2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide

C15H23N3O3 — CID 115936610

IUPAC2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
SMILESCCNc1c(C(=O)NC(CC)C(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-15(19)11-8-7-9-13(18(20)21)14(11)16-6-2/h7-10,12,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyHTWWRZKDZDHOJE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds7

About 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide

2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide (PubChem CID 115936610) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
PubChem CID115936610
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
SMILESCCNc1c(C(=O)NC(CC)C(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-15(19)11-8-7-9-13(18(20)21)14(11)16-6-2/h7-10,12,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyHTWWRZKDZDHOJE-UHFFFAOYSA-N
XLogP3.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.19
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-butan-2-yl-2-(ethylamino)-3-nitrobenzamide
CID 112580548
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-(1-bromo-3-methylbutan-2-yl)-2-methyl-3-nitrobenzamide
CID 113276013
2-(ethylamino)-3-nitro-N-pentylbenzamide
CID 115936323
2-ethoxy-N-(1-iodo-3-methylbutan-2-yl)-3-nitrobenzamide
CID 107859998
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
N-(3-ethoxypropyl)-2-(ethylamino)-3-nitrobenzamide
CID 115936439
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
2-[(3-hydroxy-2-methylpropyl)amino]-3-nitrobenzoic acid
CID 112576944

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide (CID 115936610) is 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide is CCNc1c(C(=O)NC(CC)C(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
The InChIKey is HTWWRZKDZDHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-15(19)11-8-7-9-13(18(20)21)14(11)16-6-2/h7-10,12,16H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 115936610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).