3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide

C13H17N3O3 — CID 54938677

IUPAC3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESN#Cc1ccccc1OCC(O)CNCCC(N)=O
InChIInChI=1S/C13H17N3O3/c14-7-10-3-1-2-4-12(10)19-9-11(17)8-16-6-5-13(15)18/h1-4,11,16-17H,5-6,8-9H2,(H2,15,18)
InChIKeyTZNSKFWWIAUDBF-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.24
Rot. Bonds8

About 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide

3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 54938677) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID54938677
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESN#Cc1ccccc1OCC(O)CNCCC(N)=O
InChIInChI=1S/C13H17N3O3/c14-7-10-3-1-2-4-12(10)19-9-11(17)8-16-6-5-13(15)18/h1-4,11,16-17H,5-6,8-9H2,(H2,15,18)
InChIKeyTZNSKFWWIAUDBF-UHFFFAOYSA-N
XLogP-0.24
TPSA108.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174965
2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152
2-[3-(2,2-difluoroethylamino)-2-hydroxypropoxy]benzonitrile
CID 113303744
2-[2-hydroxy-3-(pent-3-ynylamino)propoxy]benzonitrile
CID 116643978
2-[2-hydroxy-3-(3-methylsulfonylpropylamino)propoxy]benzonitrile
CID 61020873
2-[3-[2-(diethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
CID 60896612
N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]benzenesulfonamide
CID 13030966
2-[2-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]propoxy]benzonitrile
CID 107152676
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
2-[2-hydroxy-3-(3-methylbut-2-enylamino)propoxy]benzonitrile
CID 106188785
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
1-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-(6-iodo-3-pyridinyl)urea
CID 70683109

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide (CID 54938677) is 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide is N#Cc1ccccc1OCC(O)CNCCC(N)=O.
What is the InChIKey of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is TZNSKFWWIAUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-7-10-3-1-2-4-12(10)19-9-11(17)8-16-6-5-13(15)18/h1-4,11,16-17H,5-6,8-9H2,(H2,15,18).
What are the key properties of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide?
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 263.30 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 54938677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).