3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide

C13H20N2O3 — CID 54938576

IUPAC3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
SMILESCc1ccc(OCC(O)CNCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O3/c1-10-2-4-12(5-3-10)18-9-11(16)8-15-7-6-13(14)17/h2-5,11,15-16H,6-9H2,1H3,(H2,14,17)
InChIKeyJCYZIEOAXYFXDW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.20
Rot. Bonds8

About 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide

3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide (PubChem CID 54938576) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
PubChem CID54938576
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
SMILESCc1ccc(OCC(O)CNCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O3/c1-10-2-4-12(5-3-10)18-9-11(16)8-15-7-6-13(14)17/h2-5,11,15-16H,6-9H2,1H3,(H2,14,17)
InChIKeyJCYZIEOAXYFXDW-UHFFFAOYSA-N
XLogP0.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045815
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide
CID 106277568
1-(4-methylphenoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669530
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
3-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 110177622
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide?
The IUPAC name of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide (CID 54938576) is 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide is Cc1ccc(OCC(O)CNCCC(N)=O)cc1.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide?
The InChIKey is JCYZIEOAXYFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-2-4-12(5-3-10)18-9-11(16)8-15-7-6-13(14)17/h2-5,11,15-16H,6-9H2,1H3,(H2,14,17).
What are the key properties of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide?
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide is sourced from PubChem (CID 54938576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).