3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide

C19H23NO4 — CID 99995361

IUPAC3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
SMILESCOc1ccccc1CCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-22-16-9-5-4-7-14(16)8-6-12-20-19(21)15-10-11-17(23-2)18(13-15)24-3/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,20,21)
InChIKeyVVLUTOBQVGQXBO-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.08
Rot. Bonds8

About 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide

3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide (PubChem CID 99995361) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
PubChem CID99995361
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
SMILESCOc1ccccc1CCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-22-16-9-5-4-7-14(16)8-6-12-20-19(21)15-10-11-17(23-2)18(13-15)24-3/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,20,21)
InChIKeyVVLUTOBQVGQXBO-UHFFFAOYSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.08
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

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
CID 46963233
N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide
CID 118762164
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-[3-(2-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46762989
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide (CID 99995361) is 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide is COc1ccccc1CCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide?
The InChIKey is VVLUTOBQVGQXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-9-5-4-7-14(16)8-6-12-20-19(21)15-10-11-17(23-2)18(13-15)24-3/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide?
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 99995361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).