N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide

C14H19NO2 — CID 2182758

IUPACN-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide
SMILESC=CCNC(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C14H19NO2/c1-5-6-15-14(16)9-17-13-8-10(2)7-11(3)12(13)4/h5,7-8H,1,6,9H2,2-4H3,(H,15,16)
InChIKeyGWASMUQLLWRMND-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds5

About N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide

N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 2182758) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID2182758
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide
SMILESC=CCNC(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C14H19NO2/c1-5-6-15-14(16)9-17-13-8-10(2)7-11(3)12(13)4/h5,7-8H,1,6,9H2,2-4H3,(H,15,16)
InChIKeyGWASMUQLLWRMND-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide (CID 2182758) is N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide is C=CCNC(=O)COc1cc(C)cc(C)c1C.
What is the InChIKey of N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is GWASMUQLLWRMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-6-15-14(16)9-17-13-8-10(2)7-11(3)12(13)4/h5,7-8H,1,6,9H2,2-4H3,(H,15,16).
What are the key properties of N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide?
N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 2182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).