ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate

C12H26N2O4 — CID 114150258

IUPACethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(C)(O)CN(C)C
InChIInChI=1S/C12H26N2O4/c1-5-18-11(15)8-17-7-6-13-9-12(2,16)10-14(3)4/h13,16H,5-10H2,1-4H3
InChIKeyOGKIUXYRNRXDJV-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.53
Rot. Bonds10

About ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate

ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate (PubChem CID 114150258) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
PubChem CID114150258
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Nameethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(C)(O)CN(C)C
InChIInChI=1S/C12H26N2O4/c1-5-18-11(15)8-17-7-6-13-9-12(2,16)10-14(3)4/h13,16H,5-10H2,1-4H3
InChIKeyOGKIUXYRNRXDJV-UHFFFAOYSA-N
XLogP-0.53
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate 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

1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
CID 114283912
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
CID 103265328
ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
CID 103263560
ethyl 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-4-oxobutanoate
CID 103839873
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate (CID 114150258) is ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate is CCOC(=O)COCCNCC(C)(O)CN(C)C.
What is the InChIKey of ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate?
The InChIKey is OGKIUXYRNRXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-5-18-11(15)8-17-7-6-13-9-12(2,16)10-14(3)4/h13,16H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate?
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate has a molecular weight of 262.35 g/mol, XLogP of -0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate is sourced from PubChem (CID 114150258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).