N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C16H23NO3 — CID 78767935

IUPACN-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCCCC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-4-6-10-17-16(18)12-20-14-9-8-13(7-5-2)11-15(14)19-3/h5,8-9,11H,2,4,6-7,10,12H2,1,3H3,(H,17,18)
InChIKeyLHOLLUXVYJLQKC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.72
Rot. Bonds9

About N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 78767935) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID78767935
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCCCC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-4-6-10-17-16(18)12-20-14-9-8-13(7-5-2)11-15(14)19-3/h5,8-9,11H,2,4,6-7,10,12H2,1,3H3,(H,17,18)
InChIKeyLHOLLUXVYJLQKC-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60549237
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30763943
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(E)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 19577478
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804130
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 78767935) is N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NCCCC)c(OC)c1.
What is the InChIKey of N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is LHOLLUXVYJLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-6-10-17-16(18)12-20-14-9-8-13(7-5-2)11-15(14)19-3/h5,8-9,11H,2,4,6-7,10,12H2,1,3H3,(H,17,18).
What are the key properties of N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 78767935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).