N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide

C21H24FNO4 — CID 78796591

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)N(C)Cc2ccc(OC)c(F)c2)c(OC)c1
InChIInChI=1S/C21H24FNO4/c1-5-6-15-7-10-19(20(12-15)26-4)27-14-21(24)23(2)13-16-8-9-18(25-3)17(22)11-16/h5,7-12H,1,6,13-14H2,2-4H3
InChIKeyYKEQFTLJGCCQLW-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.61
Rot. Bonds9

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide (PubChem CID 78796591) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
PubChem CID78796591
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)N(C)Cc2ccc(OC)c(F)c2)c(OC)c1
InChIInChI=1S/C21H24FNO4/c1-5-6-15-7-10-19(20(12-15)26-4)27-14-21(24)23(2)13-16-8-9-18(25-3)17(22)11-16/h5,7-12H,1,6,13-14H2,2-4H3
InChIKeyYKEQFTLJGCCQLW-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 17414877
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 55373143
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 112788449
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198611
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 55374050
2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 51190547

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide (CID 78796591) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide is C=CCc1ccc(OCC(=O)N(C)Cc2ccc(OC)c(F)c2)c(OC)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The InChIKey is YKEQFTLJGCCQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-5-6-15-7-10-19(20(12-15)26-4)27-14-21(24)23(2)13-16-8-9-18(25-3)17(22)11-16/h5,7-12H,1,6,13-14H2,2-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide has a molecular weight of 373.42 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide is sourced from PubChem (CID 78796591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).