ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate

C16H22F3NO4 — CID 19816521

IUPACethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(OC(C)CC)cc1C(F)(F)F
InChIInChI=1S/C16H22F3NO4/c1-4-11(3)24-12-6-7-14(13(10-12)16(17,18)19)23-9-8-20-15(21)22-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyUYVNDNLNEVNIOK-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.01
Rot. Bonds8

About ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate

ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate (PubChem CID 19816521) has the molecular formula C16H22F3NO4 and a molecular weight of 349.35 g/mol. Its IUPAC name is ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate
PubChem CID19816521
Molecular FormulaC16H22F3NO4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Nameethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(OC(C)CC)cc1C(F)(F)F
InChIInChI=1S/C16H22F3NO4/c1-4-11(3)24-12-6-7-14(13(10-12)16(17,18)19)23-9-8-20-15(21)22-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyUYVNDNLNEVNIOK-UHFFFAOYSA-N
XLogP4.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate
CID 19816524
ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
CID 22158866
butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
CID 14552663
ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate
CID 22158871
2-(4-butan-2-yloxyphenoxy)ethylcarbamothioic S-acid
CID 88525877
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
ethyl N-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]ethyl]carbamate
CID 54531452
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate (CID 19816521) is ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate is CCOC(=O)NCCOc1ccc(OC(C)CC)cc1C(F)(F)F.
What is the InChIKey of ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate?
The InChIKey is UYVNDNLNEVNIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO4/c1-4-11(3)24-12-6-7-14(13(10-12)16(17,18)19)23-9-8-20-15(21)22-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate?
ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate has a molecular weight of 349.35 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 19816521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).