2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide

C23H22N2O2 — CID 70572253

IUPAC2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)c3ccccc3)cc2)c1)C(=O)CN
InChIInChI=1S/C23H22N2O2/c1-25(22(26)15-24)16-17-6-5-9-21(14-17)18-10-12-20(13-11-18)23(27)19-7-3-2-4-8-19/h2-14H,15-16,24H2,1H3
InChIKeyJGQUJKLULFVVAR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.50
Rot. Bonds6

About 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide

2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide (PubChem CID 70572253) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
PubChem CID70572253
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)c3ccccc3)cc2)c1)C(=O)CN
InChIInChI=1S/C23H22N2O2/c1-25(22(26)15-24)16-17-6-5-9-21(14-17)18-10-12-20(13-11-18)23(27)19-7-3-2-4-8-19/h2-14H,15-16,24H2,1H3
InChIKeyJGQUJKLULFVVAR-UHFFFAOYSA-N
XLogP3.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
CID 161031506
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572134
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070
2-amino-N-[[3-[4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572111
2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide (CID 70572253) is 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide is CN(Cc1cccc(-c2ccc(C(=O)c3ccccc3)cc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide?
The InChIKey is JGQUJKLULFVVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-25(22(26)15-24)16-17-6-5-9-21(14-17)18-10-12-20(13-11-18)23(27)19-7-3-2-4-8-19/h2-14H,15-16,24H2,1H3.
What are the key properties of 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide has a molecular weight of 358.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70572253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).