N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide

C18H19NO3 — CID 14099779

IUPACN-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCOc1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C18H19NO3/c20-18(14-6-7-14)19-12-13-21-15-8-10-17(11-9-15)22-16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2,(H,19,20)
InChIKeyFTPCUGHCFKLABN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide

N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide (PubChem CID 14099779) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide
PubChem CID14099779
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCOc1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C18H19NO3/c20-18(14-6-7-14)19-12-13-21-15-8-10-17(11-9-15)22-16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2,(H,19,20)
InChIKeyFTPCUGHCFKLABN-UHFFFAOYSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide (CID 14099779) is N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide is O=C(NCCOc1ccc(Oc2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide?
The InChIKey is FTPCUGHCFKLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(14-6-7-14)19-12-13-21-15-8-10-17(11-9-15)22-16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2,(H,19,20).
What are the key properties of N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide?
N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenoxyphenoxy)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 14099779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).