3-amino-4-ethoxy-N-hexylbenzamide

C15H24N2O2 — CID 61112297

IUPAC3-amino-4-ethoxy-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-3-5-6-7-10-17-15(18)12-8-9-14(19-4-2)13(16)11-12/h8-9,11H,3-7,10,16H2,1-2H3,(H,17,18)
InChIKeyQORVNNZWYBAACZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.98
Rot. Bonds8

About 3-amino-4-ethoxy-N-hexylbenzamide

3-amino-4-ethoxy-N-hexylbenzamide (PubChem CID 61112297) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-hexylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-hexylbenzamide
PubChem CID61112297
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-4-ethoxy-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-3-5-6-7-10-17-15(18)12-8-9-14(19-4-2)13(16)11-12/h8-9,11H,3-7,10,16H2,1-2H3,(H,17,18)
InChIKeyQORVNNZWYBAACZ-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3,4-diamino-N-dodecylbenzamide
CID 22411166
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
4-amino-3-methyl-N-octylbenzamide
CID 115565914
[2-(butylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61485782
[2-acetyloxy-4-(octylcarbamoyl)phenyl] acetate
CID 14096949

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-hexylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-hexylbenzamide (CID 61112297) is 3-amino-4-ethoxy-N-hexylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-hexylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-hexylbenzamide is CCCCCCNC(=O)c1ccc(OCC)c(N)c1.
What is the InChIKey of 3-amino-4-ethoxy-N-hexylbenzamide?
The InChIKey is QORVNNZWYBAACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-6-7-10-17-15(18)12-8-9-14(19-4-2)13(16)11-12/h8-9,11H,3-7,10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-4-ethoxy-N-hexylbenzamide?
3-amino-4-ethoxy-N-hexylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-hexylbenzamide is sourced from PubChem (CID 61112297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).