N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide

C22H22N2O — CID 112839420

IUPACN-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
SMILESCc1c(NCCc2ccccc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-17-20(23-16-15-18-9-4-2-5-10-18)13-8-14-21(17)24-22(25)19-11-6-3-7-12-19/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyDAQAHCRDBDMIEU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.90
Rot. Bonds6

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

N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide (PubChem CID 112839420) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
PubChem CID112839420
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
SMILESCc1c(NCCc2ccccc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-17-20(23-16-15-18-9-4-2-5-10-18)13-8-14-21(17)24-22(25)19-11-6-3-7-12-19/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyDAQAHCRDBDMIEU-UHFFFAOYSA-N
XLogP4.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide?
The IUPAC name of N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide (CID 112839420) is N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide?
The canonical SMILES for N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide is Cc1c(NCCc2ccccc2)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide?
The InChIKey is DAQAHCRDBDMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-20(23-16-15-18-9-4-2-5-10-18)13-8-14-21(17)24-22(25)19-11-6-3-7-12-19/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide?
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide is sourced from PubChem (CID 112839420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).