2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide

C14H16N4O — CID 61114789

IUPAC2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
SMILESN#CCCN(CCC#N)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H16N4O/c15-7-3-9-18(10-4-8-16)14(19)11-12-5-1-2-6-13(12)17/h1-2,5-6H,3-4,9-11,17H2
InChIKeyYNUISNBQSVFNBP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.47
Rot. Bonds6

About 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide

2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide (PubChem CID 61114789) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
PubChem CID61114789
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
SMILESN#CCCN(CCC#N)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H16N4O/c15-7-3-9-18(10-4-8-16)14(19)11-12-5-1-2-6-13(12)17/h1-2,5-6H,3-4,9-11,17H2
InChIKeyYNUISNBQSVFNBP-UHFFFAOYSA-N
XLogP1.47
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
CID 61116679
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
3-amino-N,N-bis(2-cyanoethyl)propanamide
CID 60953472
2-(2-aminophenyl)-N,N-diphenylacetamide
CID 156705003
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082
2-(2-aminophenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61118628
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide (CID 61114789) is 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide is N#CCCN(CCC#N)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide?
The InChIKey is YNUISNBQSVFNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-7-3-9-18(10-4-8-16)14(19)11-12-5-1-2-6-13(12)17/h1-2,5-6H,3-4,9-11,17H2.
What are the key properties of 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide?
2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide is sourced from PubChem (CID 61114789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).