2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate

C18H25FN2O5 — CID 176700578

IUPAC2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate
SMILESC=CC(=O)NCCOC(=O)NCCOCCOc1cc(F)ccc1CC
InChIInChI=1S/C18H25FN2O5/c1-3-14-5-6-15(19)13-16(14)25-12-11-24-9-7-21-18(23)26-10-8-20-17(22)4-2/h4-6,13H,2-3,7-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyULZYPAVXWPMVPJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.81
Rot. Bonds12

About 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate

2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate (PubChem CID 176700578) has the molecular formula C18H25FN2O5 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate
PubChem CID176700578
Molecular FormulaC18H25FN2O5
Molecular Weight368.41 g/mol
Exact Mass368.17
IUPAC Name2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate
SMILESC=CC(=O)NCCOC(=O)NCCOCCOc1cc(F)ccc1CC
InChIInChI=1S/C18H25FN2O5/c1-3-14-5-6-15(19)13-16(14)25-12-11-24-9-7-21-18(23)26-10-8-20-17(22)4-2/h4-6,13H,2-3,7-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyULZYPAVXWPMVPJ-UHFFFAOYSA-N
XLogP1.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[2-[2-hydroxy-3-[2-(2-methylpropanoylamino)ethylamino]propoxy]phenyl]prop-2-enoate
CID 13732891
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
N-[2-(2-Propylphenoxy)ethyl]acetamide
CID 559346
5-[(2-Methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 2883881
[2-[2-[[2-[2-(2-Methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 24981931
tert-butyl N-[2-[2-[2-[2-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 155531982
N-[2-(4-propylphenoxy)ethyl]acetamide
CID 2306765
[2-(Cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 4802412
Benzyl 2-(4-ethylphenoxy)ethylcarbamate
CID 1811604
N-[2-(2-methylphenoxy)ethyl]-3-phenylacrylamide
CID 5730769
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate
CID 7767845
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate (CID 176700578) is 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate is C=CC(=O)NCCOC(=O)NCCOCCOc1cc(F)ccc1CC.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate?
The InChIKey is ULZYPAVXWPMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O5/c1-3-14-5-6-15(19)13-16(14)25-12-11-24-9-7-21-18(23)26-10-8-20-17(22)4-2/h4-6,13H,2-3,7-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate?
2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate has a molecular weight of 368.41 g/mol, XLogP of 1.81, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 176700578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).