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

C10H22N2O4 — CID 60910580

IUPAC3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
SMILESCCOCCOCC(O)CNCCC(N)=O
InChIInChI=1S/C10H22N2O4/c1-2-15-5-6-16-8-9(13)7-12-4-3-10(11)14/h9,12-13H,2-8H2,1H3,(H2,11,14)
InChIKeyJKIHJHGNYNZYPH-UHFFFAOYSA-N
MW234.30 g/mol
LogP-1.13
Rot. Bonds11

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

3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 60910580) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID60910580
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
SMILESCCOCCOCC(O)CNCCC(N)=O
InChIInChI=1S/C10H22N2O4/c1-2-15-5-6-16-8-9(13)7-12-4-3-10(11)14/h9,12-13H,2-8H2,1H3,(H2,11,14)
InChIKeyJKIHJHGNYNZYPH-UHFFFAOYSA-N
XLogP-1.13
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-1.13
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-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide (CID 60910580) is 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide is CCOCCOCC(O)CNCCC(N)=O.
What is the InChIKey of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is JKIHJHGNYNZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-2-15-5-6-16-8-9(13)7-12-4-3-10(11)14/h9,12-13H,2-8H2,1H3,(H2,11,14).
What are the key properties of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide?
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 234.30 g/mol, XLogP of -1.13, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 60910580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).