N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide

C11H13N3O2 — CID 43548887

IUPACN-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C11H13N3O2/c1-2-16-7-11(15)14-10-4-3-9(13)5-8(10)6-12/h3-5H,2,7,13H2,1H3,(H,14,15)
InChIKeyHVEZYSQPUHKSKM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.12
Rot. Bonds4

About N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide

N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide (PubChem CID 43548887) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
PubChem CID43548887
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C11H13N3O2/c1-2-16-7-11(15)14-10-4-3-9(13)5-8(10)6-12/h3-5H,2,7,13H2,1H3,(H,14,15)
InChIKeyHVEZYSQPUHKSKM-UHFFFAOYSA-N
XLogP1.12
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
CID 43551360
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
ethyl 2-[(4-amino-2-cyanophenyl)sulfamoyl]acetate
CID 61456595
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564022
N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103816393
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
CID 61296173
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide (CID 43548887) is N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(N)cc1C#N.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide?
The InChIKey is HVEZYSQPUHKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-7-11(15)14-10-4-3-9(13)5-8(10)6-12/h3-5H,2,7,13H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide?
N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide has a molecular weight of 219.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide is sourced from PubChem (CID 43548887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).