1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide

C26H28N2O6 — CID 46542093

IUPAC1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(C(=O)NCc3cc(OC)ccc3OC)cc2)c1
InChIInChI=1S/C26H28N2O6/c1-31-21-9-11-23(33-3)19(13-21)15-27-25(29)17-5-7-18(8-6-17)26(30)28-16-20-14-22(32-2)10-12-24(20)34-4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyYBUDWUSMPDTMMU-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.58
Rot. Bonds10

About 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 46542093) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID46542093
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(C(=O)NCc3cc(OC)ccc3OC)cc2)c1
InChIInChI=1S/C26H28N2O6/c1-31-21-9-11-23(33-3)19(13-21)15-27-25(29)17-5-7-18(8-6-17)26(30)28-16-20-14-22(32-2)10-12-24(20)34-4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyYBUDWUSMPDTMMU-UHFFFAOYSA-N
XLogP3.58
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 33108134
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 5060578
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide (CID 46542093) is 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide is COc1ccc(OC)c(CNC(=O)c2ccc(C(=O)NCc3cc(OC)ccc3OC)cc2)c1.
What is the InChIKey of 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is YBUDWUSMPDTMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-31-21-9-11-23(33-3)19(13-21)15-27-25(29)17-5-7-18(8-6-17)26(30)28-16-20-14-22(32-2)10-12-24(20)34-4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 464.52 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 46542093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).