ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen

C18H33NO5 — CID 142365442

IUPACethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen
SMILESCC.CNc1ccc(OCCOCCOCCOCC(C)=O)cc1.[H][H]
InChIInChI=1S/C16H25NO5.C2H6.H2/c1-14(18)13-21-10-9-19-7-8-20-11-12-22-16-5-3-15(17-2)4-6-16;1-2;/h3-6,17H,7-13H2,1-2H3;1-2H3;1H
InChIKeyQRUFAWGWAKAASY-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.02
Rot. Bonds13

About ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen

ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen (PubChem CID 142365442) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen
PubChem CID142365442
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Nameethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen
SMILESCC.CNc1ccc(OCCOCCOCCOCC(C)=O)cc1.[H][H]
InChIInChI=1S/C16H25NO5.C2H6.H2/c1-14(18)13-21-10-9-19-7-8-20-11-12-22-16-5-3-15(17-2)4-6-16;1-2;/h3-6,17H,7-13H2,1-2H3;1-2H3;1H
InChIKeyQRUFAWGWAKAASY-UHFFFAOYSA-N
XLogP3.02
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 134493052
3-methyl-1-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]butan-2-one
CID 126671917
3-methyl-1-[2-[2-[4-[4-(methylamino)phenoxy]butoxy]ethoxy]ethoxy]butan-2-one
CID 135216960
1-[4-[3-[4-(propan-2-ylamino)phenoxy]propoxy]butoxy]propan-2-one
CID 134581931
2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
CID 58687735
1-[3-[3-[4-[(1R)-1-(methylamino)ethyl]phenoxy]propoxy]propoxy]propan-2-one
CID 126671533
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
N-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]phenyl]propanamide
CID 153330481
N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline
CID 58757918
4-[(1E,3E,5E)-6-[4-[2-[2-[2-(2-(131I)iodoethoxy)ethoxy]ethoxy]ethoxy]phenyl]hexa-1,3,5-trienyl]-N-methyl(131I)aniline
CID 11649856
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen?
The IUPAC name of ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen (CID 142365442) is ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen.
What is the SMILES notation for ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen?
The canonical SMILES for ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen is CC.CNc1ccc(OCCOCCOCCOCC(C)=O)cc1.[H][H].
What is the InChIKey of ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen?
The InChIKey is QRUFAWGWAKAASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5.C2H6.H2/c1-14(18)13-21-10-9-19-7-8-20-11-12-22-16-5-3-15(17-2)4-6-16;1-2;/h3-6,17H,7-13H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen?
ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen has a molecular weight of 343.46 g/mol, XLogP of 3.02, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen is sourced from PubChem (CID 142365442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).