3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide

C26H29N3O2 — CID 155664130

IUPAC3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-3-29(4-2)19-23-14-9-8-13-22(23)18-27-25(30)21-15-10-16-24(17-21)28-26(31)20-11-6-5-7-12-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGWYBHSOQKSQRCZ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.71
Rot. Bonds9

About 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide

3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide (PubChem CID 155664130) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
PubChem CID155664130
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-3-29(4-2)19-23-14-9-8-13-22(23)18-27-25(30)21-15-10-16-24(17-21)28-26(31)20-11-6-5-7-12-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGWYBHSOQKSQRCZ-UHFFFAOYSA-N
XLogP4.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide (CID 155664130) is 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
The InChIKey is GWYBHSOQKSQRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-29(4-2)19-23-14-9-8-13-22(23)18-27-25(30)21-15-10-16-24(17-21)28-26(31)20-11-6-5-7-12-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 155664130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).