3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide

C14H29NO3 — CID 155795090

IUPAC3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOCCOCCC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-12(2)15-13(16)6-8-17-10-11-18-9-7-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyXBXQAZSBYDICBA-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds9

About 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide

3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide (PubChem CID 155795090) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
PubChem CID155795090
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOCCOCCC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-12(2)15-13(16)6-8-17-10-11-18-9-7-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyXBXQAZSBYDICBA-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane
CID 178008284
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
(2R)-2-[3-[2-(3,3-dimethylbutoxy)ethoxy]propanoylamino]-3-(3,3-dimethylbutyldisulfanyl)-3-methylbutanoic acid
CID 169051647
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 162486485
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-5,5-dimethylhexan-3-one
CID 176880291
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide (CID 155795090) is 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOCCOCCC(C)(C)C.
What is the InChIKey of 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide?
The InChIKey is XBXQAZSBYDICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-12(2)15-13(16)6-8-17-10-11-18-9-7-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16).
What are the key properties of 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide?
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide has a molecular weight of 259.39 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 155795090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).