N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide

C12H26N2O3 — CID 139566565

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCOCCOCCN
InChIInChI=1S/C12H26N2O3/c1-12(2,3)10-11(15)14-5-7-17-9-8-16-6-4-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyGQUBJKRLFRMOJQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.53
Rot. Bonds9

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide (PubChem CID 139566565) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
PubChem CID139566565
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCOCCOCCN
InChIInChI=1S/C12H26N2O3/c1-12(2,3)10-11(15)14-5-7-17-9-8-16-6-4-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyGQUBJKRLFRMOJQ-UHFFFAOYSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
CID 20736984
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,4-dimethyl-3-oxopentanamide
CID 142404359
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
CID 58238700
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide (CID 139566565) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide?
The InChIKey is GQUBJKRLFRMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,3)10-11(15)14-5-7-17-9-8-16-6-4-13/h4-10,13H2,1-3H3,(H,14,15).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).