3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide

C15H23N3O3 — CID 62680325

IUPAC3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide
SMILESCCCC(CC)NC(=O)c1ccc([N+](=O)[O-])c(NCC)c1
InChIInChI=1S/C15H23N3O3/c1-4-7-12(5-2)17-15(19)11-8-9-14(18(20)21)13(10-11)16-6-3/h8-10,12,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyRWWPLNMOWXGXIM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.34
Rot. Bonds8

About 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide

3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide (PubChem CID 62680325) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide.

Molecular Properties

Compound Name3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide
PubChem CID62680325
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide
SMILESCCCC(CC)NC(=O)c1ccc([N+](=O)[O-])c(NCC)c1
InChIInChI=1S/C15H23N3O3/c1-4-7-12(5-2)17-15(19)11-8-9-14(18(20)21)13(10-11)16-6-3/h8-10,12,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyRWWPLNMOWXGXIM-UHFFFAOYSA-N
XLogP3.34
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.34
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-hexan-3-yl-3-(methylamino)-4-nitrobenzamide
CID 62680324
4-fluoro-N-hexan-3-yl-3-nitrobenzamide
CID 55031524
N-hexan-3-yl-3,5-dinitrobenzamide
CID 140574363
4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
CID 62200101
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
N-ethyl-4-nitro-3-[2-(propylamino)ethylamino]benzamide
CID 82990107
4-fluoro-N-(1-hydroxypentan-3-yl)-3-nitrobenzamide
CID 113495684
3-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63963591
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzamide
CID 103919912
N-(1-chlorobutan-2-yl)-3-methyl-4-nitrobenzamide
CID 113271149
3-chloro-N-(1-hydroxybutan-2-yl)-4-nitrobenzamide
CID 82781095
N-(1-aminobutan-2-yl)-3-methyl-4-nitrobenzamide
CID 65193829

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide?
The IUPAC name of 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide (CID 62680325) is 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide.
What is the SMILES notation for 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide?
The canonical SMILES for 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide is CCCC(CC)NC(=O)c1ccc([N+](=O)[O-])c(NCC)c1.
What is the InChIKey of 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide?
The InChIKey is RWWPLNMOWXGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-7-12(5-2)17-15(19)11-8-9-14(18(20)21)13(10-11)16-6-3/h8-10,12,16H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide?
3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide is sourced from PubChem (CID 62680325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).