N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide

C14H21NO4 — CID 170638035

IUPACN-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide
SMILESCOC(COc1ccc(C)c(NC(C)=O)c1C)OC
InChIInChI=1S/C14H21NO4/c1-9-6-7-12(19-8-13(17-4)18-5)10(2)14(9)15-11(3)16/h6-7,13H,8H2,1-5H3,(H,15,16)
InChIKeyDDLSBNIHWQYRHD-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.26
Rot. Bonds6

About N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide

N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide (PubChem CID 170638035) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide
PubChem CID170638035
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide
SMILESCOC(COc1ccc(C)c(NC(C)=O)c1C)OC
InChIInChI=1S/C14H21NO4/c1-9-6-7-12(19-8-13(17-4)18-5)10(2)14(9)15-11(3)16/h6-7,13H,8H2,1-5H3,(H,15,16)
InChIKeyDDLSBNIHWQYRHD-UHFFFAOYSA-N
XLogP2.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide
CID 18520564
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
N-(3-iodo-2,6-dimethylphenyl)acetamide
CID 4608715
(3-acetamido-2,4-dimethylphenyl)methyl acetate
CID 141195730
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
dimethyl 4-(2,2-dimethoxyethoxy)benzene-1,2-dicarboxylate
CID 155584738
2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene
CID 21071778
N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide
CID 155615406
N-(3-isocyanato-2,6-dimethylphenyl)acetamide
CID 169353390
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
CID 14279893

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide (CID 170638035) is N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide is COC(COc1ccc(C)c(NC(C)=O)c1C)OC.
What is the InChIKey of N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide?
The InChIKey is DDLSBNIHWQYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-6-7-12(19-8-13(17-4)18-5)10(2)14(9)15-11(3)16/h6-7,13H,8H2,1-5H3,(H,15,16).
What are the key properties of N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide?
N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide has a molecular weight of 267.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 170638035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).