3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide

C20H26N2O3 — CID 37315779

IUPAC3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
SMILESCCOc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-4-25-19-15-16(11-12-18(19)24-3)20(23)21-13-8-14-22(2)17-9-6-5-7-10-17/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,21,23)
InChIKeyQBGCTBPYQBLDMY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.35
Rot. Bonds9

About 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide

3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 37315779) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID37315779
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
SMILESCCOc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-4-25-19-15-16(11-12-18(19)24-3)20(23)21-13-8-14-22(2)17-9-6-5-7-10-17/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,21,23)
InChIKeyQBGCTBPYQBLDMY-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.35
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

3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
CID 100535556
4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
CID 41278240
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
CID 86968104
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide (CID 37315779) is 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide is CCOc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is QBGCTBPYQBLDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-25-19-15-16(11-12-18(19)24-3)20(23)21-13-8-14-22(2)17-9-6-5-7-10-17/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,21,23).
What are the key properties of 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide?
3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 37315779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).