4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide

C22H28N2O4 — CID 109048248

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-5-6-13-23-21(25)17-8-10-18(11-9-17)22(26)24-15-16-7-12-19(27-2)20(14-16)28-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIZXAYRPGMYWXTK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.55
Rot. Bonds10

About 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide

4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide (PubChem CID 109048248) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
PubChem CID109048248
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-5-6-13-23-21(25)17-8-10-18(11-9-17)22(26)24-15-16-7-12-19(27-2)20(14-16)28-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIZXAYRPGMYWXTK-UHFFFAOYSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide (CID 109048248) is 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide is CCCCCNC(=O)c1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide?
The InChIKey is IZXAYRPGMYWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-5-6-13-23-21(25)17-8-10-18(11-9-17)22(26)24-15-16-7-12-19(27-2)20(14-16)28-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide?
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).