1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

C20H24N2O3 — CID 109052676

IUPAC1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-15-6-3-7-16(12-15)14-22-20(24)18-9-4-8-17(13-18)19(23)21-10-5-11-25-2/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOQTVYMZGQJGIEW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.69
Rot. Bonds8

About 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109052676) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109052676
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-15-6-3-7-16(12-15)14-22-20(24)18-9-4-8-17(13-18)19(23)21-10-5-11-25-2/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOQTVYMZGQJGIEW-UHFFFAOYSA-N
XLogP2.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109052676) is 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is COCCCNC(=O)c1cccc(C(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is OQTVYMZGQJGIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-6-3-7-16(12-15)14-22-20(24)18-9-4-8-17(13-18)19(23)21-10-5-11-25-2/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).