N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide

C14H17NO2 — CID 70695318

IUPACN-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide
SMILESC=CCOc1ccc(NC(C)=O)cc1CC=C
InChIInChI=1S/C14H17NO2/c1-4-6-12-10-13(15-11(3)16)7-8-14(12)17-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3,(H,15,16)
InChIKeyYKEGFYHFNRGLSX-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.94
Rot. Bonds6

About N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide

N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide (PubChem CID 70695318) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide
PubChem CID70695318
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide
SMILESC=CCOc1ccc(NC(C)=O)cc1CC=C
InChIInChI=1S/C14H17NO2/c1-4-6-12-10-13(15-11(3)16)7-8-14(12)17-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3,(H,15,16)
InChIKeyYKEGFYHFNRGLSX-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.94
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-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide?
The IUPAC name of N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide (CID 70695318) is N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide.
What is the SMILES notation for N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide?
The canonical SMILES for N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide is C=CCOc1ccc(NC(C)=O)cc1CC=C.
What is the InChIKey of N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide?
The InChIKey is YKEGFYHFNRGLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-6-12-10-13(15-11(3)16)7-8-14(12)17-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3,(H,15,16).
What are the key properties of N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide?
N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide has a molecular weight of 231.29 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide is sourced from PubChem (CID 70695318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).