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

C13H17N3O4 — CID 106174965

IUPAC3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESN#Cc1ccccc1OCC(O)CNCC(O)C(N)=O
InChIInChI=1S/C13H17N3O4/c14-5-9-3-1-2-4-12(9)20-8-10(17)6-16-7-11(18)13(15)19/h1-4,10-11,16-18H,6-8H2,(H2,15,19)
InChIKeyXQIQVYHEMKTKEK-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.27
Rot. Bonds8

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

3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide (PubChem CID 106174965) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
PubChem CID106174965
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESN#Cc1ccccc1OCC(O)CNCC(O)C(N)=O
InChIInChI=1S/C13H17N3O4/c14-5-9-3-1-2-4-12(9)20-8-10(17)6-16-7-11(18)13(15)19/h1-4,10-11,16-18H,6-8H2,(H2,15,19)
InChIKeyXQIQVYHEMKTKEK-UHFFFAOYSA-N
XLogP-1.27
TPSA128.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938677
2-[3-(2,2-difluoroethylamino)-2-hydroxypropoxy]benzonitrile
CID 113303744
2-[2-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]propoxy]benzonitrile
CID 107152676
2-[2-hydroxy-3-(3-methylbut-2-enylamino)propoxy]benzonitrile
CID 106188785
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-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-[2-hydroxy-3-(1,2,4-oxadiazol-3-ylmethylamino)propoxy]benzonitrile
CID 106399300
2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile
CID 106417937

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide (CID 106174965) is 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide is N#Cc1ccccc1OCC(O)CNCC(O)C(N)=O.
What is the InChIKey of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The InChIKey is XQIQVYHEMKTKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-5-9-3-1-2-4-12(9)20-8-10(17)6-16-7-11(18)13(15)19/h1-4,10-11,16-18H,6-8H2,(H2,15,19).
What are the key properties of 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide has a molecular weight of 279.30 g/mol, XLogP of -1.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).