ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate

C16H23NO4 — CID 19816571

IUPACethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1cccc(OCC=C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-4-19-16(18)17-9-11-21-15-7-5-6-14(12-15)20-10-8-13(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyNFFRWEOSRRKYAF-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.16
Rot. Bonds8

About ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate

ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate (PubChem CID 19816571) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate
PubChem CID19816571
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1cccc(OCC=C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-4-19-16(18)17-9-11-21-15-7-5-6-14(12-15)20-10-8-13(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyNFFRWEOSRRKYAF-UHFFFAOYSA-N
XLogP3.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 88525872
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
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tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
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ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
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CID 14496172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate (CID 19816571) is ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate is CCOC(=O)NCCOc1cccc(OCC=C(C)C)c1.
What is the InChIKey of ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate?
The InChIKey is NFFRWEOSRRKYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-19-16(18)17-9-11-21-15-7-5-6-14(12-15)20-10-8-13(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate?
ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 19816571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).