ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen

C12H29NO3 — CID 178062930

IUPACethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
SMILESCC.CCOCCOCCC(=O)NC(C)C.[H][H]
InChIInChI=1S/C10H21NO3.C2H6.H2/c1-4-13-7-8-14-6-5-10(12)11-9(2)3;1-2;/h9H,4-8H2,1-3H3,(H,11,12);1-2H3;1H
InChIKeyFOKBXXIYCRDJRC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.23
Rot. Bonds8

About ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen

ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen (PubChem CID 178062930) has the molecular formula C12H29NO3 and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
PubChem CID178062930
Molecular FormulaC12H29NO3
Molecular Weight235.37 g/mol
Exact Mass235.21
IUPAC Nameethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
SMILESCC.CCOCCOCCC(=O)NC(C)C.[H][H]
InChIInChI=1S/C10H21NO3.C2H6.H2/c1-4-13-7-8-14-6-5-10(12)11-9(2)3;1-2;/h9H,4-8H2,1-3H3,(H,11,12);1-2H3;1H
InChIKeyFOKBXXIYCRDJRC-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.23
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-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
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
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090
3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid
CID 175998278
N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
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
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen?
The IUPAC name of ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen (CID 178062930) is ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen.
What is the SMILES notation for ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen?
The canonical SMILES for ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen is CC.CCOCCOCCC(=O)NC(C)C.[H][H].
What is the InChIKey of ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen?
The InChIKey is FOKBXXIYCRDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.C2H6.H2/c1-4-13-7-8-14-6-5-10(12)11-9(2)3;1-2;/h9H,4-8H2,1-3H3,(H,11,12);1-2H3;1H.
What are the key properties of ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen?
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen has a molecular weight of 235.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen is sourced from PubChem (CID 178062930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).