2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide

C13H20N2O2 — CID 115259952

IUPAC2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
SMILESCOc1c(C)c(C)cc(C)c1CNCC(N)=O
InChIInChI=1S/C13H20N2O2/c1-8-5-9(2)11(6-15-7-12(14)16)13(17-4)10(8)3/h5,15H,6-7H2,1-4H3,(H2,14,16)
InChIKeyUJLNOWFOEFTPDU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.20
Rot. Bonds5

About 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide

2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide (PubChem CID 115259952) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
PubChem CID115259952
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
SMILESCOc1c(C)c(C)cc(C)c1CNCC(N)=O
InChIInChI=1S/C13H20N2O2/c1-8-5-9(2)11(6-15-7-12(14)16)13(17-4)10(8)3/h5,15H,6-7H2,1-4H3,(H2,14,16)
InChIKeyUJLNOWFOEFTPDU-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
CID 116845553
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 16773062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide?
The IUPAC name of 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide (CID 115259952) is 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide?
The canonical SMILES for 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide is COc1c(C)c(C)cc(C)c1CNCC(N)=O.
What is the InChIKey of 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide?
The InChIKey is UJLNOWFOEFTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-5-9(2)11(6-15-7-12(14)16)13(17-4)10(8)3/h5,15H,6-7H2,1-4H3,(H2,14,16).
What are the key properties of 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide?
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide is sourced from PubChem (CID 115259952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).