N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide

C12H23NO5 — CID 155455431

IUPACN-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCCC(=O)COCCOCCOCCNC(C)=O
InChIInChI=1S/C12H23NO5/c1-3-12(15)10-18-9-8-17-7-6-16-5-4-13-11(2)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyXEYKVXKVALRICN-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.15
Rot. Bonds12

About N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 155455431) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
PubChem CID155455431
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC NameN-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCCC(=O)COCCOCCOCCNC(C)=O
InChIInChI=1S/C12H23NO5/c1-3-12(15)10-18-9-8-17-7-6-16-5-4-13-11(2)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyXEYKVXKVALRICN-UHFFFAOYSA-N
XLogP0.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-(2-oxopropoxy)ethyl]acetamide
CID 144871697
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide (CID 155455431) is N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide is CCC(=O)COCCOCCOCCNC(C)=O.
What is the InChIKey of N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is XEYKVXKVALRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-3-12(15)10-18-9-8-17-7-6-16-5-4-13-11(2)14/h3-10H2,1-2H3,(H,13,14).
What are the key properties of N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 155455431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).