N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide

C17H19NO — CID 68720830

IUPACN-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-17(10-13(12)2)16-8-5-15(6-9-16)11-18-14(3)19/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyZRACBJHHRGYNJQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.61
Rot. Bonds3

About N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide

N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide (PubChem CID 68720830) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
PubChem CID68720830
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-17(10-13(12)2)16-8-5-15(6-9-16)11-18-14(3)19/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyZRACBJHHRGYNJQ-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-iodophenyl)methyl]acetamide
CID 23111624
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
N-benzylacetamide;toluene
CID 175498463
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
4-(acetamidomethyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 18195087
4-(acetamidomethyl)benzoate
CID 4573914

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide (CID 68720830) is N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide?
The InChIKey is ZRACBJHHRGYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-7-17(10-13(12)2)16-8-5-15(6-9-16)11-18-14(3)19/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide?
N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide has a molecular weight of 253.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide is sourced from PubChem (CID 68720830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).