4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

C20H24N2O5 — CID 109045361

IUPAC4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5/c1-25-12-4-11-21-19(23)14-5-7-15(8-6-14)20(24)22-16-9-10-17(26-2)18(13-16)27-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPJXZAQIBHMPLJH-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.72
Rot. Bonds9

About 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (PubChem CID 109045361) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
PubChem CID109045361
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5/c1-25-12-4-11-21-19(23)14-5-7-15(8-6-14)20(24)22-16-9-10-17(26-2)18(13-16)27-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPJXZAQIBHMPLJH-UHFFFAOYSA-N
XLogP2.72
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
1-(3,4-dimethoxyphenyl)-3-(3-methoxypropyl)thiourea
CID 2725123
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (CID 109045361) is 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The InChIKey is PJXZAQIBHMPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-25-12-4-11-21-19(23)14-5-7-15(8-6-14)20(24)22-16-9-10-17(26-2)18(13-16)27-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).