N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide

C25H27NO4 — CID 1326317

IUPACN-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO4/c1-28-22-16-20(17-23(29-2)24(22)30-3)25(27)26-15-14-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21H,14-15H2,1-3H3,(H,26,27)
InChIKeyOBYQFIXRZBPBCS-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.66
Rot. Bonds9

About N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide

N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide (PubChem CID 1326317) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide
PubChem CID1326317
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO4/c1-28-22-16-20(17-23(29-2)24(22)30-3)25(27)26-15-14-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21H,14-15H2,1-3H3,(H,26,27)
InChIKeyOBYQFIXRZBPBCS-UHFFFAOYSA-N
XLogP4.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide (CID 1326317) is N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide?
The InChIKey is OBYQFIXRZBPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-28-22-16-20(17-23(29-2)24(22)30-3)25(27)26-15-14-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21H,14-15H2,1-3H3,(H,26,27).
What are the key properties of N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide?
N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide has a molecular weight of 405.49 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1326317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).