ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate

C15H23NO4 — CID 22158866

IUPACethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccccc1OC(C)CC
InChIInChI=1S/C15H23NO4/c1-4-12(3)20-14-9-7-6-8-13(14)19-11-10-16-15(17)18-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyXYEBGPFFNQXGNV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.99
Rot. Bonds8

About ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate

ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate (PubChem CID 22158866) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
PubChem CID22158866
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccccc1OC(C)CC
InChIInChI=1S/C15H23NO4/c1-4-12(3)20-14-9-7-6-8-13(14)19-11-10-16-15(17)18-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyXYEBGPFFNQXGNV-UHFFFAOYSA-N
XLogP2.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.99
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-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate
CID 19816521
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
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
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate (CID 22158866) is ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate is CCOC(=O)NCCOc1ccccc1OC(C)CC.
What is the InChIKey of ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate?
The InChIKey is XYEBGPFFNQXGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-12(3)20-14-9-7-6-8-13(14)19-11-10-16-15(17)18-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate?
ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 22158866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).