ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate

C30H38FNO5 — CID 143845662

IUPACethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate
SMILESC=C.C=C(/C=C\CF)COC(=O)N(CC)Cc1ccc(C)cc1-c1cc(CC(=O)OCC)ccc1OC
InChIInChI=1S/C28H34FNO5.C2H4/c1-6-30(28(32)35-19-21(4)9-8-14-29)18-23-12-10-20(3)15-24(23)25-16-22(11-13-26(25)33-5)17-27(31)34-7-2;1-2/h8-13,15-16H,4,6-7,14,17-19H2,1-3,5H3;1-2H2/b9-8-;
InChIKeyJHMAXDNIWBUIPT-UOQXYWCXSA-N
MW511.63 g/mol
LogP6.62
Rot. Bonds12

About ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate

ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate (PubChem CID 143845662) has the molecular formula C30H38FNO5 and a molecular weight of 511.63 g/mol. Its IUPAC name is ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Nameethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate
PubChem CID143845662
Molecular FormulaC30H38FNO5
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Nameethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate
SMILESC=C.C=C(/C=C\CF)COC(=O)N(CC)Cc1ccc(C)cc1-c1cc(CC(=O)OCC)ccc1OC
InChIInChI=1S/C28H34FNO5.C2H4/c1-6-30(28(32)35-19-21(4)9-8-14-29)18-23-12-10-20(3)15-24(23)25-16-22(11-13-26(25)33-5)17-27(31)34-7-2;1-2/h8-13,15-16H,4,6-7,14,17-19H2,1-3,5H3;1-2H2/b9-8-;
InChIKeyJHMAXDNIWBUIPT-UOQXYWCXSA-N
XLogP6.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149305
2-[3-[2-[[ethyl-[(4-fluorophenyl)methoxycarbonyl]amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
CID 58148974
2-[3-[2-[[ethyl(2-methylpropanoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148904
ethyl 2-[3-[4-bromo-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-4-methoxyphenyl]acetate
CID 58149020
ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate
CID 58579971
ethyl 2-[3-[2-[[ethyl-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 70985732
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148939
ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate
CID 58579958
2-[3-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148955
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
2-[3-[2-[[acetyl(ethyl)amino]methyl]-5-(methoxycarbonylamino)phenyl]-4-methoxyphenyl]acetic acid
CID 56924995

Frequently Asked Questions

What is the IUPAC name of ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate?
The IUPAC name of ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate (CID 143845662) is ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate.
What is the SMILES notation for ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate?
The canonical SMILES for ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate is C=C.C=C(/C=C\CF)COC(=O)N(CC)Cc1ccc(C)cc1-c1cc(CC(=O)OCC)ccc1OC.
What is the InChIKey of ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate?
The InChIKey is JHMAXDNIWBUIPT-UOQXYWCXSA-N. The full InChI is InChI=1S/C28H34FNO5.C2H4/c1-6-30(28(32)35-19-21(4)9-8-14-29)18-23-12-10-20(3)15-24(23)25-16-22(11-13-26(25)33-5)17-27(31)34-7-2;1-2/h8-13,15-16H,4,6-7,14,17-19H2,1-3,5H3;1-2H2/b9-8-;.
What are the key properties of ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate?
ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate has a molecular weight of 511.63 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl 2-[3-[2-[[ethyl-[(Z)-5-fluoro-2-methylidenepent-3-enoxy]carbonylamino]methyl]-5-methylphenyl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 143845662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).