4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide

C21H28N2O3 — CID 41278240

IUPAC4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCN(CC)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-4-23(18-10-7-6-8-11-18)15-9-14-22-21(24)17-12-13-19(26-5-2)20(16-17)25-3/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3,(H,22,24)
InChIKeyHQQLTYNBRLQTET-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.74
Rot. Bonds10

About 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide

4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide (PubChem CID 41278240) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
PubChem CID41278240
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCN(CC)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-4-23(18-10-7-6-8-11-18)15-9-14-22-21(24)17-12-13-19(26-5-2)20(16-17)25-3/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3,(H,22,24)
InChIKeyHQQLTYNBRLQTET-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
CID 37245133
3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
CID 100535556
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide (CID 41278240) is 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide is CCOc1ccc(C(=O)NCCCN(CC)c2ccccc2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide?
The InChIKey is HQQLTYNBRLQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-23(18-10-7-6-8-11-18)15-9-14-22-21(24)17-12-13-19(26-5-2)20(16-17)25-3/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3,(H,22,24).
What are the key properties of 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide?
4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide is sourced from PubChem (CID 41278240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).