3-(2-butoxyethoxy)-N-propan-2-ylpropanamide

C12H25NO3 — CID 154677786

IUPAC3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
SMILESCCCCOCCOCCC(=O)NC(C)C
InChIInChI=1S/C12H25NO3/c1-4-5-7-15-9-10-16-8-6-12(14)13-11(2)3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyJYCZTIFHPYOKJG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.73
Rot. Bonds10

About 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide

3-(2-butoxyethoxy)-N-propan-2-ylpropanamide (PubChem CID 154677786) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
PubChem CID154677786
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
SMILESCCCCOCCOCCC(=O)NC(C)C
InChIInChI=1S/C12H25NO3/c1-4-5-7-15-9-10-16-8-6-12(14)13-11(2)3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyJYCZTIFHPYOKJG-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.73
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
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090
N-propan-2-yl-3-(3-propoxypropylamino)propanamide
CID 82942492
(2S)-2-(3-decoxypropanoylamino)propanoic acid
CID 57083473
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 167706699
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide (CID 154677786) is 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide is CCCCOCCOCCC(=O)NC(C)C.
What is the InChIKey of 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide?
The InChIKey is JYCZTIFHPYOKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-5-7-15-9-10-16-8-6-12(14)13-11(2)3/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide?
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide has a molecular weight of 231.34 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 154677786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).