N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide

C20H23N3O4 — CID 13030897

IUPACN-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide
SMILESN#Cc1ccccc1OCC(O)CNCCNC(=O)COc1ccccc1
InChIInChI=1S/C20H23N3O4/c21-12-16-6-4-5-9-19(16)27-14-17(24)13-22-10-11-23-20(25)15-26-18-7-2-1-3-8-18/h1-9,17,22,24H,10-11,13-15H2,(H,23,25)
InChIKeyAKXUWRARKIBUEQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.08
Rot. Bonds11

About N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide

N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide (PubChem CID 13030897) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide
PubChem CID13030897
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide
SMILESN#Cc1ccccc1OCC(O)CNCCNC(=O)COc1ccccc1
InChIInChI=1S/C20H23N3O4/c21-12-16-6-4-5-9-19(16)27-14-17(24)13-22-10-11-23-20(25)15-26-18-7-2-1-3-8-18/h1-9,17,22,24H,10-11,13-15H2,(H,23,25)
InChIKeyAKXUWRARKIBUEQ-UHFFFAOYSA-N
XLogP1.08
TPSA103.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide (CID 13030897) is N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide is N#Cc1ccccc1OCC(O)CNCCNC(=O)COc1ccccc1.
What is the InChIKey of N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide?
The InChIKey is AKXUWRARKIBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c21-12-16-6-4-5-9-19(16)27-14-17(24)13-22-10-11-23-20(25)15-26-18-7-2-1-3-8-18/h1-9,17,22,24H,10-11,13-15H2,(H,23,25).
What are the key properties of N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide?
N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide has a molecular weight of 369.42 g/mol, XLogP of 1.08, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 13030897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).