4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide

C21H26N2O4 — CID 109048755

IUPAC4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-5-6-13-22-20(24)15-7-9-16(10-8-15)21(25)23-17-11-12-18(26-2)19(14-17)27-3/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPGEMYCJZQKPKJW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.88
Rot. Bonds9

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

4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide (PubChem CID 109048755) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
PubChem CID109048755
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-5-6-13-22-20(24)15-7-9-16(10-8-15)21(25)23-17-11-12-18(26-2)19(14-17)27-3/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPGEMYCJZQKPKJW-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.88
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

4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
1-(3,4-dimethoxyphenyl)-3-octylthiourea
CID 19651030
4-methoxy-N-pentylbenzamide
CID 3113360
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide (CID 109048755) is 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide is CCCCCNC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide?
The InChIKey is PGEMYCJZQKPKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-5-6-13-22-20(24)15-7-9-16(10-8-15)21(25)23-17-11-12-18(26-2)19(14-17)27-3/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide?
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.88, 9 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)-1-N-pentylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).