ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide

C12H27NO4 — CID 177319137

IUPACethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
SMILESCC.COCCOCCCCOCCC(N)=O
InChIInChI=1S/C10H21NO4.C2H6/c1-13-8-9-15-6-3-2-5-14-7-4-10(11)12;1-2/h2-9H2,1H3,(H2,11,12);1-2H3
InChIKeyRTAJDBAYEPRXSL-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.35
Rot. Bonds11

About ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide

ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide (PubChem CID 177319137) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide.

Molecular Properties

Compound Nameethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
PubChem CID177319137
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Nameethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
SMILESCC.COCCOCCCCOCCC(N)=O
InChIInChI=1S/C10H21NO4.C2H6/c1-13-8-9-15-6-3-2-5-14-7-4-10(11)12;1-2/h2-9H2,1H3,(H2,11,12);1-2H3
InChIKeyRTAJDBAYEPRXSL-UHFFFAOYSA-N
XLogP1.35
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
5-(3-methoxypropoxy)pentanamide
CID 135179275
3-butoxypropanamide;ethane
CID 176554640
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
3-dodecoxypropanamide
CID 22235134
3-(3-bromopropoxy)propanamide
CID 87796003
3-dodecoxypropanamide;hydrobromide
CID 175357705
4-methoxybutanamide
CID 22414177
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 169158833
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide?
The IUPAC name of ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide (CID 177319137) is ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide.
What is the SMILES notation for ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide?
The canonical SMILES for ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide is CC.COCCOCCCCOCCC(N)=O.
What is the InChIKey of ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide?
The InChIKey is RTAJDBAYEPRXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.C2H6/c1-13-8-9-15-6-3-2-5-14-7-4-10(11)12;1-2/h2-9H2,1H3,(H2,11,12);1-2H3.
What are the key properties of ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide?
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide has a molecular weight of 249.35 g/mol, XLogP of 1.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide is sourced from PubChem (CID 177319137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).