3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide

C15H18N4O2 — CID 61116679

IUPAC3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
SMILESN#CCCN(CCC#N)C(=O)CCOc1ccccc1N
InChIInChI=1S/C15H18N4O2/c16-8-3-10-19(11-4-9-17)15(20)7-12-21-14-6-2-1-5-13(14)18/h1-2,5-6H,3-4,7,10-12,18H2
InChIKeyMUSVJKJLIHFTHI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.69
Rot. Bonds8

About 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide

3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide (PubChem CID 61116679) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
PubChem CID61116679
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
SMILESN#CCCN(CCC#N)C(=O)CCOc1ccccc1N
InChIInChI=1S/C15H18N4O2/c16-8-3-10-19(11-4-9-17)15(20)7-12-21-14-6-2-1-5-13(14)18/h1-2,5-6H,3-4,7,10-12,18H2
InChIKeyMUSVJKJLIHFTHI-UHFFFAOYSA-N
XLogP1.69
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
CID 61114789
3-(2-aminophenoxy)-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
CID 103338330
3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61107702
3-(2-chlorophenoxy)-N,N-bis(cyanomethyl)propanamide
CID 60613497
3-(2-aminophenoxy)propanamide
CID 39869131
3-amino-N,N-bis(2-cyanoethyl)propanamide
CID 60953472
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide
CID 63570448
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
2-[2-(2-aminophenoxy)ethyl-(cyanomethyl)amino]acetonitrile
CID 43365602

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide (CID 61116679) is 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide is N#CCCN(CCC#N)C(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide?
The InChIKey is MUSVJKJLIHFTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-8-3-10-19(11-4-9-17)15(20)7-12-21-14-6-2-1-5-13(14)18/h1-2,5-6H,3-4,7,10-12,18H2.
What are the key properties of 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide?
3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide is sourced from PubChem (CID 61116679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).