2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide

C15H23N3O3 — CID 62181755

IUPAC2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NC(CC)C(C)C
InChIInChI=1S/C15H23N3O3/c1-5-13(10(3)4)17-15(19)12-9-11(18(20)21)7-8-14(12)16-6-2/h7-10,13,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyYBDMSDSLLDYNPU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds7

About 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide

2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide (PubChem CID 62181755) 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)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
PubChem CID62181755
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NC(CC)C(C)C
InChIInChI=1S/C15H23N3O3/c1-5-13(10(3)4)17-15(19)12-9-11(18(20)21)7-8-14(12)16-6-2/h7-10,13,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyYBDMSDSLLDYNPU-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-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
2-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961456
2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 115936610
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 63837382
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide (CID 62181755) is 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)NC(CC)C(C)C.
What is the InChIKey of 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide?
The InChIKey is YBDMSDSLLDYNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-13(10(3)4)17-15(19)12-9-11(18(20)21)7-8-14(12)16-6-2/h7-10,13,16H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide?
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-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)-5-nitrobenzamide is sourced from PubChem (CID 62181755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).