2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide

C18H22N2O — CID 43724074

IUPAC2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
SMILESCc1cc(C)c(CNc2ccc(CC(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-8-13(2)17(14(3)9-12)11-20-16-6-4-15(5-7-16)10-18(19)21/h4-9,20H,10-11H2,1-3H3,(H2,19,21)
InChIKeyMUQCPHBVKCWRGY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide

2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide (PubChem CID 43724074) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
PubChem CID43724074
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
SMILESCc1cc(C)c(CNc2ccc(CC(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-8-13(2)17(14(3)9-12)11-20-16-6-4-15(5-7-16)10-18(19)21/h4-9,20H,10-11H2,1-3H3,(H2,19,21)
InChIKeyMUQCPHBVKCWRGY-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide (CID 43724074) is 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide is Cc1cc(C)c(CNc2ccc(CC(N)=O)cc2)c(C)c1.
What is the InChIKey of 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide?
The InChIKey is MUQCPHBVKCWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-13(2)17(14(3)9-12)11-20-16-6-4-15(5-7-16)10-18(19)21/h4-9,20H,10-11H2,1-3H3,(H2,19,21).
What are the key properties of 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide?
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43724074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).