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

C15H22FNO4 — CID 19816524

IUPACethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(OC(C)CC)cc1F
InChIInChI=1S/C15H22FNO4/c1-4-11(3)21-12-6-7-14(13(16)10-12)20-9-8-17-15(18)19-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyRMBDFNOXXAKDHC-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.13
Rot. Bonds8

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

ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate (PubChem CID 19816524) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate
PubChem CID19816524
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Nameethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(OC(C)CC)cc1F
InChIInChI=1S/C15H22FNO4/c1-4-11(3)21-12-6-7-14(13(16)10-12)20-9-8-17-15(18)19-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyRMBDFNOXXAKDHC-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.13
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-(trifluoromethyl)phenoxy]ethyl]carbamate
CID 19816521
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
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
ethyl N-[1-[3-(2-fluorophenoxy)propylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46456848
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate (CID 19816524) is ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate is CCOC(=O)NCCOc1ccc(OC(C)CC)cc1F.
What is the InChIKey of ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate?
The InChIKey is RMBDFNOXXAKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-4-11(3)21-12-6-7-14(13(16)10-12)20-9-8-17-15(18)19-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate?
ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate has a molecular weight of 299.34 g/mol, XLogP of 3.13, 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-fluorophenoxy)ethyl]carbamate is sourced from PubChem (CID 19816524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).