methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate

C16H17NO4 — CID 142063187

IUPACmethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c1-19-16(18)17-11-12-20-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyHNKDPTXPICRKRO-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.21
Rot. Bonds6

About methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate

methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate (PubChem CID 142063187) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
PubChem CID142063187
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c1-19-16(18)17-11-12-20-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyHNKDPTXPICRKRO-UHFFFAOYSA-N
XLogP3.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.21
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

2-(4-phenoxyphenoxy)ethylcarbamothioic S-acid
CID 88759016
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
tert-butyl N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111006689
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate (CID 142063187) is methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate is COC(=O)NCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
The InChIKey is HNKDPTXPICRKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-16(18)17-11-12-20-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 142063187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).