N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide

C25H27NO4 — CID 46947855

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC
InChIInChI=1S/C25H27NO4/c1-3-28-23-15-10-19(18-24(23)29-4-2)16-17-26-25(27)20-11-13-22(14-12-20)30-21-8-6-5-7-9-21/h5-15,18H,3-4,16-17H2,1-2H3,(H,26,27)
InChIKeyFUDUOOSWCQXIFI-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.25
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide (PubChem CID 46947855) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide
PubChem CID46947855
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC
InChIInChI=1S/C25H27NO4/c1-3-28-23-15-10-19(18-24(23)29-4-2)16-17-26-25(27)20-11-13-22(14-12-20)30-21-8-6-5-7-9-21/h5-15,18H,3-4,16-17H2,1-2H3,(H,26,27)
InChIKeyFUDUOOSWCQXIFI-UHFFFAOYSA-N
XLogP5.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide (CID 46947855) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide is CCOc1ccc(CCNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide?
The InChIKey is FUDUOOSWCQXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-28-23-15-10-19(18-24(23)29-4-2)16-17-26-25(27)20-11-13-22(14-12-20)30-21-8-6-5-7-9-21/h5-15,18H,3-4,16-17H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide has a molecular weight of 405.49 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 46947855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).