N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

C13H19NO — CID 110788028

IUPACN-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCC(=O)NCCc1c(C)cc(C)cc1C
InChIInChI=1S/C13H19NO/c1-9-7-10(2)13(11(3)8-9)5-6-14-12(4)15/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyAGZYAJJLNHMFKG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds3

About N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (PubChem CID 110788028) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
PubChem CID110788028
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCC(=O)NCCc1c(C)cc(C)cc1C
InChIInChI=1S/C13H19NO/c1-9-7-10(2)13(11(3)8-9)5-6-14-12(4)15/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyAGZYAJJLNHMFKG-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115140912
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
2-methyl-3-oxo-3-[2-(2,4,6-trimethylphenyl)ethylamino]propanoic acid
CID 115164343
(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 94693681
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181683
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 110795309
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (CID 110788028) is N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is CC(=O)NCCc1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The InChIKey is AGZYAJJLNHMFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-7-10(2)13(11(3)8-9)5-6-14-12(4)15/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 110788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).