N-[2-(4-cyanoanilino)ethyl]acetamide

C11H13N3O — CID 43401184

IUPACN-[2-(4-cyanoanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-9(15)13-6-7-14-11-4-2-10(8-12)3-5-11/h2-5,14H,6-7H2,1H3,(H,13,15)
InChIKeyVZZBPNAFXLHPPN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(4-cyanoanilino)ethyl]acetamide

N-[2-(4-cyanoanilino)ethyl]acetamide (PubChem CID 43401184) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)ethyl]acetamide
PubChem CID43401184
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[2-(4-cyanoanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-9(15)13-6-7-14-11-4-2-10(8-12)3-5-11/h2-5,14H,6-7H2,1H3,(H,13,15)
InChIKeyVZZBPNAFXLHPPN-UHFFFAOYSA-N
XLogP1.11
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
4-(2-acetamidoethylamino)benzoic acid
CID 62231212
methyl 3-(4-cyanoanilino)propanoate
CID 43243076
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
N-[2-(3-cyano-4-nitroanilino)ethyl]acetamide
CID 113324174
4-[2-(propylamino)ethylamino]benzonitrile
CID 62664287
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
4-(4-cyanoanilino)-N,N-dimethylbutanamide
CID 54983863
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)ethyl]acetamide?
The IUPAC name of N-[2-(4-cyanoanilino)ethyl]acetamide (CID 43401184) is N-[2-(4-cyanoanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(4-cyanoanilino)ethyl]acetamide is CC(=O)NCCNc1ccc(C#N)cc1.
What is the InChIKey of N-[2-(4-cyanoanilino)ethyl]acetamide?
The InChIKey is VZZBPNAFXLHPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)13-6-7-14-11-4-2-10(8-12)3-5-11/h2-5,14H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(4-cyanoanilino)ethyl]acetamide?
N-[2-(4-cyanoanilino)ethyl]acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanoanilino)ethyl]acetamide is sourced from PubChem (CID 43401184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).