2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C23H29NO4 — CID 46449126

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2ccccc2COC(C)C)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-5-8-18-11-12-21(22(13-18)26-4)28-16-23(25)24-14-19-9-6-7-10-20(19)15-27-17(2)3/h5-7,9-13,17H,1,8,14-16H2,2-4H3,(H,24,25)
InChIKeyNGTAWNGIBIFVQU-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.04
Rot. Bonds11

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 46449126) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID46449126
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2ccccc2COC(C)C)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-5-8-18-11-12-21(22(13-18)26-4)28-16-23(25)24-14-19-9-6-7-10-20(19)15-27-17(2)3/h5-7,9-13,17H,1,8,14-16H2,2-4H3,(H,24,25)
InChIKeyNGTAWNGIBIFVQU-UHFFFAOYSA-N
XLogP4.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26423489

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 46449126) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is C=CCc1ccc(OCC(=O)NCc2ccccc2COC(C)C)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is NGTAWNGIBIFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-8-18-11-12-21(22(13-18)26-4)28-16-23(25)24-14-19-9-6-7-10-20(19)15-27-17(2)3/h5-7,9-13,17H,1,8,14-16H2,2-4H3,(H,24,25).
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46449126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).