4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide

C25H26N2O3 — CID 71453175

IUPAC4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-30-23-13-12-21(24(28)26-16-14-19-8-4-2-5-9-19)18-22(23)25(29)27-17-15-20-10-6-3-7-11-20/h2-13,18H,14-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyVVOIFKHXVVKTFD-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.64
Rot. Bonds9

About 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide

4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 71453175) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID71453175
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-30-23-13-12-21(24(28)26-16-14-19-8-4-2-5-9-19)18-22(23)25(29)27-17-15-20-10-6-3-7-11-20/h2-13,18H,14-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyVVOIFKHXVVKTFD-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide (CID 71453175) is 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide is COc1ccc(C(=O)NCCc2ccccc2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is VVOIFKHXVVKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-23-13-12-21(24(28)26-16-14-19-8-4-2-5-9-19)18-22(23)25(29)27-17-15-20-10-6-3-7-11-20/h2-13,18H,14-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 402.49 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 71453175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).