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

C17H23NO2 — CID 78767913

IUPACN,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESC=CCN(CC=C)C(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C17H23NO2/c1-6-8-18(9-7-2)17(19)12-20-16-11-13(3)10-14(4)15(16)5/h6-7,10-11H,1-2,8-9,12H2,3-5H3
InChIKeyLVJXVEXMYYEPFF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.19
Rot. Bonds7

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

N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 78767913) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID78767913
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESC=CCN(CC=C)C(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C17H23NO2/c1-6-8-18(9-7-2)17(19)12-20-16-11-13(3)10-14(4)15(16)5/h6-7,10-11H,1-2,8-9,12H2,3-5H3
InChIKeyLVJXVEXMYYEPFF-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008633
N-(2-hydroxyethyl)-2-(2-methylphenoxy)-N-prop-2-enylacetamide
CID 113340576
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide
CID 43291327
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-bromobenzoic acid
CID 103601808
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-iodobenzoic acid
CID 78909445
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 7893883
2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765507
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066856
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 78767913) is N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide is C=CCN(CC=C)C(=O)COc1cc(C)cc(C)c1C.
What is the InChIKey of N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is LVJXVEXMYYEPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-6-8-18(9-7-2)17(19)12-20-16-11-13(3)10-14(4)15(16)5/h6-7,10-11H,1-2,8-9,12H2,3-5H3.
What are the key properties of N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 78767913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).