2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide

C26H24N2O2 — CID 147162606

IUPAC2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide
SMILESC=NC(=O)Cc1c(C)n(Cc2ccccc2-c2ccccc2)c2cccc(OC)c12
InChIInChI=1S/C26H24N2O2/c1-18-22(16-25(29)27-2)26-23(14-9-15-24(26)30-3)28(18)17-20-12-7-8-13-21(20)19-10-5-4-6-11-19/h4-15H,2,16-17H2,1,3H3
InChIKeyBWDCZORSEYXLMW-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.44
Rot. Bonds6

About 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide

2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide (PubChem CID 147162606) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide.

Molecular Properties

Compound Name2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide
PubChem CID147162606
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide
SMILESC=NC(=O)Cc1c(C)n(Cc2ccccc2-c2ccccc2)c2cccc(OC)c12
InChIInChI=1S/C26H24N2O2/c1-18-22(16-25(29)27-2)26-23(14-9-15-24(26)30-3)28(18)17-20-12-7-8-13-21(20)19-10-5-4-6-11-19/h4-15H,2,16-17H2,1,3H3
InChIKeyBWDCZORSEYXLMW-UHFFFAOYSA-N
XLogP5.44
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
CID 10597071
methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
CID 22738163
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023
[5-carbamoyl-9-[(2-phenylphenyl)methyl]carbazol-4-yl] ethaneperoxoate
CID 175098119
3-(3-naphthalen-1-yloxypropyl)-1-[(2-phenylphenyl)methyl]indole-2-carboxylic acid
CID 67315494
2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine
CID 143459592
2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
CID 54561553
2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
CID 172738667
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
2-[5-(3-dimethoxyphosphorylpropoxy)-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetamide
CID 10768298
5-hydroxy-7-phenyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 22741264

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide?
The IUPAC name of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide (CID 147162606) is 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide.
What is the SMILES notation for 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide?
The canonical SMILES for 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide is C=NC(=O)Cc1c(C)n(Cc2ccccc2-c2ccccc2)c2cccc(OC)c12.
What is the InChIKey of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide?
The InChIKey is BWDCZORSEYXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-22(16-25(29)27-2)26-23(14-9-15-24(26)30-3)28(18)17-20-12-7-8-13-21(20)19-10-5-4-6-11-19/h4-15H,2,16-17H2,1,3H3.
What are the key properties of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide?
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide has a molecular weight of 396.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide is sourced from PubChem (CID 147162606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).