2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide

C11H13N3O2 — CID 79463677

IUPAC2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C11H13N3O2/c12-5-6-16-8-11(15)14-10-3-1-9(7-13)2-4-10/h1-4H,5-6,8,12H2,(H,14,15)
InChIKeyICJFWQBRUSSMSM-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.47
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide

2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide (PubChem CID 79463677) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
PubChem CID79463677
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C11H13N3O2/c12-5-6-16-8-11(15)14-10-3-1-9(7-13)2-4-10/h1-4H,5-6,8,12H2,(H,14,15)
InChIKeyICJFWQBRUSSMSM-UHFFFAOYSA-N
XLogP0.47
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
[2-(4-cyanoanilino)-2-oxoethyl] benzoate
CID 2517291
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
2-(2-aminoethoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 79473221
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548822

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide (CID 79463677) is 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)COCCN)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide?
The InChIKey is ICJFWQBRUSSMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-6-16-8-11(15)14-10-3-1-9(7-13)2-4-10/h1-4H,5-6,8,12H2,(H,14,15).
What are the key properties of 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide?
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 79463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).