N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide

C30H28N2O — CID 71583022

IUPACN-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33)
InChIKeyYXDJXWNOSXNEIR-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.73
Rot. Bonds7

About N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide

N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 71583022) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
PubChem CID71583022
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC NameN-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33)
InChIKeyYXDJXWNOSXNEIR-UHFFFAOYSA-N
XLogP5.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 25155163
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide
CID 11268773
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 72723461
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 60514084
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
2-[4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]phenyl]sulfonylacetic acid
CID 515148
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide (CID 71583022) is N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(CN2Cc3ccccc3C2)cc1.
What is the InChIKey of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is YXDJXWNOSXNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33).
What are the key properties of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide?
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 71583022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).