ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate

C17H18ClNO4 — CID 19881385

IUPACethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4/c1-2-21-17(20)19-11-12-22-14-7-9-16(10-8-14)23-15-5-3-13(18)4-6-15/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyXZFYFRNAOMLGAZ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.26
Rot. Bonds7

About ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate

ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate (PubChem CID 19881385) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
PubChem CID19881385
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Nameethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4/c1-2-21-17(20)19-11-12-22-14-7-9-16(10-8-14)23-15-5-3-13(18)4-6-15/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyXZFYFRNAOMLGAZ-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.26
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

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ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
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1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
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methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 142063187
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
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ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
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ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
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ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate
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CID 30502854

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate (CID 19881385) is ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate is CCOC(=O)NCCOc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate?
The InChIKey is XZFYFRNAOMLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-2-21-17(20)19-11-12-22-14-7-9-16(10-8-14)23-15-5-3-13(18)4-6-15/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate?
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate has a molecular weight of 335.79 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 19881385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).