N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide

C15H20FNO2 — CID 50969657

IUPACN-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)COC(C)C
InChIInChI=1S/C15H20FNO2/c1-4-9-17(15(18)11-19-12(2)3)10-13-5-7-14(16)8-6-13/h4-8,12H,1,9-11H2,2-3H3
InChIKeyXGLWHWKDBFUTKW-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.77
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide

N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide (PubChem CID 50969657) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide
PubChem CID50969657
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)COC(C)C
InChIInChI=1S/C15H20FNO2/c1-4-9-17(15(18)11-19-12(2)3)10-13-5-7-14(16)8-6-13/h4-8,12H,1,9-11H2,2-3H3
InChIKeyXGLWHWKDBFUTKW-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.77
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

2,4-Oxazolidinedione, 3-benzyl-
CID 230350
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
1-Benzyl-4-ethoxy-1,5-dihydro-2H-pyrrol-2-one
CID 563187
(2R)-4-ethyl-9-[2-(4-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162669410
2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
N-Benzyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
CID 561513
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 68
CID 135374675
US10927128, Example 69
CID 135374765

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide (CID 50969657) is N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide is C=CCN(Cc1ccc(F)cc1)C(=O)COC(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide?
The InChIKey is XGLWHWKDBFUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-4-9-17(15(18)11-19-12(2)3)10-13-5-7-14(16)8-6-13/h4-8,12H,1,9-11H2,2-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide?
N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide has a molecular weight of 265.33 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-propan-2-yloxy-N-prop-2-enylacetamide is sourced from PubChem (CID 50969657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).