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

C15H23N3O3 — CID 61465473

IUPAC4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)NC(CC)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-15(19)11-7-8-13(16-6-2)14(9-11)18(20)21/h7-10,12,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyCVUABSWRZLHIGO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds7

About 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide

4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide (PubChem CID 61465473) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
PubChem CID61465473
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)NC(CC)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-15(19)11-7-8-13(16-6-2)14(9-11)18(20)21/h7-10,12,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyCVUABSWRZLHIGO-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

4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
CID 62200101
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
2-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 115936610
N-(1-amino-1-oxopropan-2-yl)-3-nitro-4-(propylamino)benzamide
CID 62169726
N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-3-nitrobenzamide
CID 79252457
4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
CID 82991749
N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide
CID 82989839
4-(ethylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623814
4-(2,3-dimethylbutylamino)-N-methyl-3-nitrobenzamide
CID 78998693
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-nitrobenzamide
CID 79248861
3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide
CID 62680325

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide (CID 61465473) is 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide is CCNc1ccc(C(=O)NC(CC)C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
The InChIKey is CVUABSWRZLHIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-15(19)11-7-8-13(16-6-2)14(9-11)18(20)21/h7-10,12,16H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide?
4-(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 4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 61465473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).