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

C10H22N2O5 — CID 106174317

IUPAC3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESCCOCCOCC(O)CNCC(O)C(N)=O
InChIInChI=1S/C10H22N2O5/c1-2-16-3-4-17-7-8(13)5-12-6-9(14)10(11)15/h8-9,12-14H,2-7H2,1H3,(H2,11,15)
InChIKeyAXDDUORKCIZMTR-UHFFFAOYSA-N
MW250.29 g/mol
LogP-2.16
Rot. Bonds11

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

3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide (PubChem CID 106174317) has the molecular formula C10H22N2O5 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
PubChem CID106174317
Molecular FormulaC10H22N2O5
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESCCOCCOCC(O)CNCC(O)C(N)=O
InChIInChI=1S/C10H22N2O5/c1-2-16-3-4-17-7-8(13)5-12-6-9(14)10(11)15/h8-9,12-14H,2-7H2,1H3,(H2,11,15)
InChIKeyAXDDUORKCIZMTR-UHFFFAOYSA-N
XLogP-2.16
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide (CID 106174317) is 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide is CCOCCOCC(O)CNCC(O)C(N)=O.
What is the InChIKey of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The InChIKey is AXDDUORKCIZMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5/c1-2-16-3-4-17-7-8(13)5-12-6-9(14)10(11)15/h8-9,12-14H,2-7H2,1H3,(H2,11,15).
What are the key properties of 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide has a molecular weight of 250.29 g/mol, XLogP of -2.16, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).