ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one

C20H37NO5 — CID 169159103

IUPACethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
SMILESCC.CC.CCOCCOCCOCCOc1ccnc(C(=O)CC)c1
InChIInChI=1S/C16H25NO5.2C2H6/c1-3-16(18)15-13-14(5-6-17-15)22-12-11-21-10-9-20-8-7-19-4-2;2*1-2/h5-6,13H,3-4,7-12H2,1-2H3;2*1-2H3
InChIKeyVPXKLEXQDXCDKY-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.18
Rot. Bonds13

About ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one

ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one (PubChem CID 169159103) has the molecular formula C20H37NO5 and a molecular weight of 371.52 g/mol. Its IUPAC name is ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
PubChem CID169159103
Molecular FormulaC20H37NO5
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Nameethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
SMILESCC.CC.CCOCCOCCOCCOc1ccnc(C(=O)CC)c1
InChIInChI=1S/C16H25NO5.2C2H6/c1-3-16(18)15-13-14(5-6-17-15)22-12-11-21-10-9-20-8-7-19-4-2;2*1-2/h5-6,13H,3-4,7-12H2,1-2H3;2*1-2H3
InChIKeyVPXKLEXQDXCDKY-UHFFFAOYSA-N
XLogP4.18
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
CID 169159364
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
CID 160513371
dichloroplatinum;4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]pyridine;1-[2-(2-ethoxyethoxy)ethoxy]propane
CID 157395071
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
4-decoxypyridine-2-carboxylic acid
CID 152529644
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
4-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66234944
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
The IUPAC name of ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one (CID 169159103) is ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one.
What is the SMILES notation for ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
The canonical SMILES for ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one is CC.CC.CCOCCOCCOCCOc1ccnc(C(=O)CC)c1.
What is the InChIKey of ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
The InChIKey is VPXKLEXQDXCDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5.2C2H6/c1-3-16(18)15-13-14(5-6-17-15)22-12-11-21-10-9-20-8-7-19-4-2;2*1-2/h5-6,13H,3-4,7-12H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one has a molecular weight of 371.52 g/mol, XLogP of 4.18, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 169159103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).