ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate

C17H20N2O4 — CID 101239228

IUPACethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(Oc2ccccc2)c(N)c1
InChIInChI=1S/C17H20N2O4/c1-2-21-17(20)19-10-11-22-14-8-9-16(15(18)12-14)23-13-6-4-3-5-7-13/h3-9,12H,2,10-11,18H2,1H3,(H,19,20)
InChIKeyOFCMYPPJBDZBMS-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.19
Rot. Bonds7

About ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate

ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate (PubChem CID 101239228) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
PubChem CID101239228
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(Oc2ccccc2)c(N)c1
InChIInChI=1S/C17H20N2O4/c1-2-21-17(20)19-10-11-22-14-8-9-16(15(18)12-14)23-13-6-4-3-5-7-13/h3-9,12H,2,10-11,18H2,1H3,(H,19,20)
InChIKeyOFCMYPPJBDZBMS-UHFFFAOYSA-N
XLogP3.19
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate (CID 101239228) is ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate is CCOC(=O)NCCOc1ccc(Oc2ccccc2)c(N)c1.
What is the InChIKey of ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate?
The InChIKey is OFCMYPPJBDZBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-21-17(20)19-10-11-22-14-8-9-16(15(18)12-14)23-13-6-4-3-5-7-13/h3-9,12H,2,10-11,18H2,1H3,(H,19,20).
What are the key properties of ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate?
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 101239228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).