2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide

C18H22N2O — CID 43786872

IUPAC2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
SMILESCc1cc(C)c(CNc2ccc(CC(N)=O)cc2)cc1C
InChIInChI=1S/C18H22N2O/c1-12-8-14(3)16(9-13(12)2)11-20-17-6-4-15(5-7-17)10-18(19)21/h4-9,20H,10-11H2,1-3H3,(H2,19,21)
InChIKeyATXLFVNEXFNMKV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide

2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide (PubChem CID 43786872) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
PubChem CID43786872
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
SMILESCc1cc(C)c(CNc2ccc(CC(N)=O)cc2)cc1C
InChIInChI=1S/C18H22N2O/c1-12-8-14(3)16(9-13(12)2)11-20-17-6-4-15(5-7-17)10-18(19)21/h4-9,20H,10-11H2,1-3H3,(H2,19,21)
InChIKeyATXLFVNEXFNMKV-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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Related Compounds

2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
CID 115777910
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
CID 43724074
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
2-[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43789637
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
2-[4-[(3,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 60790039
4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
2-[4-(naphthalen-2-ylmethylamino)phenyl]acetamide
CID 174611975
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide (CID 43786872) is 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide is Cc1cc(C)c(CNc2ccc(CC(N)=O)cc2)cc1C.
What is the InChIKey of 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide?
The InChIKey is ATXLFVNEXFNMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-14(3)16(9-13(12)2)11-20-17-6-4-15(5-7-17)10-18(19)21/h4-9,20H,10-11H2,1-3H3,(H2,19,21).
What are the key properties of 2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide?
2-[4-[(2,4,5-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-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43786872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).