4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile

C14H17N3O3 — CID 79663625

IUPAC4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCOc2ccccc2N)CCO1
InChIInChI=1S/C14H17N3O3/c15-9-11-10-17(6-8-19-11)14(18)5-7-20-13-4-2-1-3-12(13)16/h1-4,11H,5-8,10,16H2
InChIKeyJDULICARTCJSLP-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.79
Rot. Bonds4

About 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile

4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile (PubChem CID 79663625) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
PubChem CID79663625
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCOc2ccccc2N)CCO1
InChIInChI=1S/C14H17N3O3/c15-9-11-10-17(6-8-19-11)14(18)5-7-20-13-4-2-1-3-12(13)16/h1-4,11H,5-8,10,16H2
InChIKeyJDULICARTCJSLP-UHFFFAOYSA-N
XLogP0.79
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.79
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

3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
CID 78945470
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
CID 79670203
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
CID 79674139
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 49418283
(2R)-4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 94371112
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile (CID 79663625) is 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)CCOc2ccccc2N)CCO1.
What is the InChIKey of 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile?
The InChIKey is JDULICARTCJSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-9-11-10-17(6-8-19-11)14(18)5-7-20-13-4-2-1-3-12(13)16/h1-4,11H,5-8,10,16H2.
What are the key properties of 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile?
4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79663625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).