N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide

C14H19NO2 — CID 13180561

IUPACN-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide
SMILESC=C(C)N(C(=O)COC)c1c(C)cccc1C
InChIInChI=1S/C14H19NO2/c1-10(2)15(13(16)9-17-5)14-11(3)7-6-8-12(14)4/h6-8H,1,9H2,2-5H3
InChIKeyCKHGNFHQJXCPJL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.82
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide

N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide (PubChem CID 13180561) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide
PubChem CID13180561
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide
SMILESC=C(C)N(C(=O)COC)c1c(C)cccc1C
InChIInChI=1S/C14H19NO2/c1-10(2)15(13(16)9-17-5)14-11(3)7-6-8-12(14)4/h6-8H,1,9H2,2-5H3
InChIKeyCKHGNFHQJXCPJL-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide (CID 13180561) is N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide is C=C(C)N(C(=O)COC)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide?
The InChIKey is CKHGNFHQJXCPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)15(13(16)9-17-5)14-11(3)7-6-8-12(14)4/h6-8H,1,9H2,2-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide?
N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methoxy-N-prop-1-en-2-ylacetamide is sourced from PubChem (CID 13180561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).