3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide

C13H28N2O2 — CID 135224068

IUPAC3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
SMILESCC(C)NCCOCCNC(=O)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)14-6-8-17-9-7-15-12(16)10-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyLYHSAAIEJUKLHH-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.55
Rot. Bonds8

About 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide

3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide (PubChem CID 135224068) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
PubChem CID135224068
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
SMILESCC(C)NCCOCCNC(=O)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)14-6-8-17-9-7-15-12(16)10-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyLYHSAAIEJUKLHH-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
CID 20736984
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
(3S)-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]-3-sulfanylbutanamide
CID 170007756
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
molecular hydrogen;2,2,3-trimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]butanamide
CID 156820426
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide (CID 135224068) is 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide is CC(C)NCCOCCNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide?
The InChIKey is LYHSAAIEJUKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)14-6-8-17-9-7-15-12(16)10-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide?
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide is sourced from PubChem (CID 135224068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).