N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide

C21H27NO2 — CID 155720716

IUPACN-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide
SMILESCOc1cc(C)c(Cc2ccc(NC(C)=O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-13(2)19-11-17(7-8-21(19)22-16(5)23)12-20-14(3)9-18(24-6)10-15(20)4/h7-11,13H,12H2,1-6H3,(H,22,23)
InChIKeyNLNLHWUJANYATF-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.98
Rot. Bonds5

About N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide

N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide (PubChem CID 155720716) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide
PubChem CID155720716
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide
SMILESCOc1cc(C)c(Cc2ccc(NC(C)=O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-13(2)19-11-17(7-8-21(19)22-16(5)23)12-20-14(3)9-18(24-6)10-15(20)4/h7-11,13H,12H2,1-6H3,(H,22,23)
InChIKeyNLNLHWUJANYATF-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[[4-(methanesulfonamido)-3-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]pentan-3-ylphosphonic acid
CID 66642924
N-ethyl-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
CID 134249644
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]butan-2-one
CID 159245963
1-amino-3-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]propan-2-one
CID 159565620
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
4-[[4-(dichlorophosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 162464815
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-enylacetamide
CID 134249295
ethane;[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
CID 143340369
5-amino-1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]pentan-2-one acetate
CID 157479704
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide (CID 155720716) is N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide is COc1cc(C)c(Cc2ccc(NC(C)=O)c(C(C)C)c2)c(C)c1.
What is the InChIKey of N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide?
The InChIKey is NLNLHWUJANYATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-13(2)19-11-17(7-8-21(19)22-16(5)23)12-20-14(3)9-18(24-6)10-15(20)4/h7-11,13H,12H2,1-6H3,(H,22,23).
What are the key properties of N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide?
N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxy-2,6-dimethylphenyl)methyl]-2-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155720716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).