N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide

C28H25NO — CID 2103734

IUPACN-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO/c1-29(28(25-13-7-3-8-14-25)26-15-9-4-10-16-26)27(30)21-22-17-19-24(20-18-22)23-11-5-2-6-12-23/h2-20,28H,21H2,1H3
InChIKeyMOPQXQOISMWFDP-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.14
Rot. Bonds6

About N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide

N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide (PubChem CID 2103734) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
PubChem CID2103734
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC NameN-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO/c1-29(28(25-13-7-3-8-14-25)26-15-9-4-10-16-26)27(30)21-22-17-19-24(20-18-22)23-11-5-2-6-12-23/h2-20,28H,21H2,1H3
InChIKeyMOPQXQOISMWFDP-UHFFFAOYSA-N
XLogP6.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 99703947
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
CID 2106709
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 7698022
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46546217

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide (CID 2103734) is N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide is CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide?
The InChIKey is MOPQXQOISMWFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-29(28(25-13-7-3-8-14-25)26-15-9-4-10-16-26)27(30)21-22-17-19-24(20-18-22)23-11-5-2-6-12-23/h2-20,28H,21H2,1H3.
What are the key properties of N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide?
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide has a molecular weight of 391.51 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 2103734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).