2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate

C11H23NO3 — CID 134214872

IUPAC2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
SMILESCC(C)OCCNCCOC(=O)C(C)C
InChIInChI=1S/C11H23NO3/c1-9(2)11(13)15-8-6-12-5-7-14-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWEQTYIIAEJLOSD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.20
Rot. Bonds8

About 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate

2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate (PubChem CID 134214872) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
PubChem CID134214872
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
SMILESCC(C)OCCNCCOC(=O)C(C)C
InChIInChI=1S/C11H23NO3/c1-9(2)11(13)15-8-6-12-5-7-14-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWEQTYIIAEJLOSD-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
CID 134214874
2-(2-methylpropylamino)ethyl 2-methylpropanoate
CID 137470797
2-propan-2-yloxyethylurea
CID 22179539
2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate
CID 129034644
N-(2-bromoethyl)-2-propan-2-yloxyethanamine
CID 114505264
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
3-(3-methylbutylamino)propyl 2-methylpropanoate
CID 82532012
1-amino-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761182
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate?
The IUPAC name of 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate (CID 134214872) is 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate is CC(C)OCCNCCOC(=O)C(C)C.
What is the InChIKey of 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate?
The InChIKey is WEQTYIIAEJLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)11(13)15-8-6-12-5-7-14-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate?
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate has a molecular weight of 217.31 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate is sourced from PubChem (CID 134214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).