2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide

C11H24N2O4 — CID 54938680

IUPAC2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)COCCOCC
InChIInChI=1S/C11H24N2O4/c1-3-13-11(15)8-12-7-10(14)9-17-6-5-16-4-2/h10,12,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyHTMSZEDPTCENRL-UHFFFAOYSA-N
MW248.32 g/mol
LogP-0.87
Rot. Bonds11

About 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide

2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide (PubChem CID 54938680) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
PubChem CID54938680
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)COCCOCC
InChIInChI=1S/C11H24N2O4/c1-3-13-11(15)8-12-7-10(14)9-17-6-5-16-4-2/h10,12,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyHTMSZEDPTCENRL-UHFFFAOYSA-N
XLogP-0.87
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-0.87
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

N-(3-Isopropoxy-propyl)-N'-(3-methoxy-propyl)-oxalamide
CID 3126767
N,N'-Bis-(3-isopropoxy-propyl)-oxalamide
CID 3126765
Acetamidoethyl PG-trimonium chloride
CID 72941718
3,14-Dioxa-7,10-diazahexadecane-5,12-diol
CID 258867
N1-cyclopropyl-N2-(2-hydroxy-3-methoxy-2-methylpropyl)oxalamide
CID 56724225
N,N'-bis(2-hydroxypropyl)oxamide
CID 283383
N,N'-bis(2-hydroxybutyl)oxamide
CID 90928565
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62014772
2-[(2-hydroxy-3-methoxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64314780
[3-(2-Acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium
CID 72941719
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260920
N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261367

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide (CID 54938680) is 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide is CCNC(=O)CNCC(O)COCCOCC.
What is the InChIKey of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The InChIKey is HTMSZEDPTCENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-3-13-11(15)8-12-7-10(14)9-17-6-5-16-4-2/h10,12,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide has a molecular weight of 248.32 g/mol, XLogP of -0.87, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide is sourced from PubChem (CID 54938680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).