N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide

C26H27NO — CID 156643832

IUPACN-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide
SMILESC=Cc1cc(-c2cc(CNC(=O)Cc3cccc(C)c3)ccc2C)ccc1C
InChIInChI=1S/C26H27NO/c1-5-23-16-24(12-10-19(23)3)25-14-22(11-9-20(25)4)17-27-26(28)15-21-8-6-7-18(2)13-21/h5-14,16H,1,15,17H2,2-4H3,(H,27,28)
InChIKeyYFEWKPXCUXIBAI-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.78
Rot. Bonds6

About N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide

N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 156643832) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID156643832
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC NameN-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide
SMILESC=Cc1cc(-c2cc(CNC(=O)Cc3cccc(C)c3)ccc2C)ccc1C
InChIInChI=1S/C26H27NO/c1-5-23-16-24(12-10-19(23)3)25-14-22(11-9-20(25)4)17-27-26(28)15-21-8-6-7-18(2)13-21/h5-14,16H,1,15,17H2,2-4H3,(H,27,28)
InChIKeyYFEWKPXCUXIBAI-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-fluoro-4-phenylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 58190266
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769107

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide (CID 156643832) is N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide is C=Cc1cc(-c2cc(CNC(=O)Cc3cccc(C)c3)ccc2C)ccc1C.
What is the InChIKey of N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is YFEWKPXCUXIBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c1-5-23-16-24(12-10-19(23)3)25-14-22(11-9-20(25)4)17-27-26(28)15-21-8-6-7-18(2)13-21/h5-14,16H,1,15,17H2,2-4H3,(H,27,28).
What are the key properties of N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide?
N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 369.51 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethenyl-4-methylphenyl)-4-methylphenyl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 156643832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).