2-[(2-hydroxy-3-octoxypropyl)amino]propanamide

C14H30N2O3 — CID 54938860

IUPAC2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
SMILESCCCCCCCCOCC(O)CNC(C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-3-4-5-6-7-8-9-19-11-13(17)10-16-12(2)14(15)18/h12-13,16-17H,3-11H2,1-2H3,(H2,15,18)
InChIKeyKQORIYILUPGAMM-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.19
Rot. Bonds13

About 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide

2-[(2-hydroxy-3-octoxypropyl)amino]propanamide (PubChem CID 54938860) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
PubChem CID54938860
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
SMILESCCCCCCCCOCC(O)CNC(C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-3-4-5-6-7-8-9-19-11-13(17)10-16-12(2)14(15)18/h12-13,16-17H,3-11H2,1-2H3,(H2,15,18)
InChIKeyKQORIYILUPGAMM-UHFFFAOYSA-N
XLogP1.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913986
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677
3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 107263156
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide?
The IUPAC name of 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide (CID 54938860) is 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide.
What is the SMILES notation for 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide?
The canonical SMILES for 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide is CCCCCCCCOCC(O)CNC(C)C(N)=O.
What is the InChIKey of 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide?
The InChIKey is KQORIYILUPGAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-3-4-5-6-7-8-9-19-11-13(17)10-16-12(2)14(15)18/h12-13,16-17H,3-11H2,1-2H3,(H2,15,18).
What are the key properties of 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide?
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide has a molecular weight of 274.40 g/mol, XLogP of 1.19, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-octoxypropyl)amino]propanamide is sourced from PubChem (CID 54938860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).