N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide

C13H19NO2 — CID 110782878

IUPACN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
SMILESCOc1c(C)cc(CNC(C)=O)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-8-6-12(7-14-11(4)15)9(2)10(3)13(8)16-5/h6H,7H2,1-5H3,(H,14,15)
InChIKeyUYFMBAJLPSRDMU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds3

About N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide (PubChem CID 110782878) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
PubChem CID110782878
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
SMILESCOc1c(C)cc(CNC(C)=O)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-8-6-12(7-14-11(4)15)9(2)10(3)13(8)16-5/h6H,7H2,1-5H3,(H,14,15)
InChIKeyUYFMBAJLPSRDMU-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
CID 115134064
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110769367
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
The IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide (CID 110782878) is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide is COc1c(C)cc(CNC(C)=O)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
The InChIKey is UYFMBAJLPSRDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-12(7-14-11(4)15)9(2)10(3)13(8)16-5/h6H,7H2,1-5H3,(H,14,15).
What are the key properties of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 110782878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).