ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine

C44H82N4O8 — CID 154643187

IUPACethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine
SMILESCC.CC.CC.CCOC(=O)CCCCCCCCc1ccc2c(n1)N(C=O)CCC2.COC(C)(C)C.NCCOCCOCCOCCOc1ccccn1
InChIInChI=1S/C20H30N2O3.C13H22N2O4.C5H12O.3C2H6/c1-2-25-19(24)12-8-6-4-3-5-7-11-18-14-13-17-10-9-15-22(16-23)20(17)21-18;14-4-6-16-7-8-17-9-10-18-11-12-19-13-3-1-2-5-15-13;1-5(2,3)6-4;3*1-2/h13-14,16H,2-12,15H2,1H3;1-3,5H,4,6-12,14H2;1-4H3;3*1-2H3
InChIKeyZXXRALIMLYFIBP-UHFFFAOYSA-N
MW795.16 g/mol
LogP8.81
Rot. Bonds23

About ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine

ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine (PubChem CID 154643187) has the molecular formula C44H82N4O8 and a molecular weight of 795.16 g/mol. Its IUPAC name is ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Nameethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine
PubChem CID154643187
Molecular FormulaC44H82N4O8
Molecular Weight795.16 g/mol
Exact Mass794.61
IUPAC Nameethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine
SMILESCC.CC.CC.CCOC(=O)CCCCCCCCc1ccc2c(n1)N(C=O)CCC2.COC(C)(C)C.NCCOCCOCCOCCOc1ccccn1
InChIInChI=1S/C20H30N2O3.C13H22N2O4.C5H12O.3C2H6/c1-2-25-19(24)12-8-6-4-3-5-7-11-18-14-13-17-10-9-15-22(16-23)20(17)21-18;14-4-6-16-7-8-17-9-10-18-11-12-19-13-3-1-2-5-15-13;1-5(2,3)6-4;3*1-2/h13-14,16H,2-12,15H2,1H3;1-3,5H,4,6-12,14H2;1-4H3;3*1-2H3
InChIKeyZXXRALIMLYFIBP-UHFFFAOYSA-N
XLogP8.81
TPSA144.56 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.16
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine with MolForge

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Related Compounds

MK-0429
CID 9853559
(S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-2-oxo-imidazolidin-1-yl}-3-(6-methoxy-pyridin-3-yl)-propionic acid
CID 10161387
(S)-3-(6-Methoxy-pyridin-3-yl)-7-oxo-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11200734
(S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11486328
(3R)-3-(6-methoxy-3-pyridinyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 42607047
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-(3-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 44393621
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 10411605
(3S,7S)-7-hydroxy-3-(6-methoxypyridin-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 11452690
(3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11486773
(S)-3-(6-Methoxy-pyridin-3-yl)-3-[methyl-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoyl)-amino]-propionic acid methyl ester
CID 44266092
(S)-3-{[5-(3-Acetylamino-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-methyl-amino}-3-(6-methoxy-pyridin-3-yl)-propionic acid methyl ester
CID 44266148
(S)-3-(6-Methoxy-pyridin-3-yl)-3-{methyl-[5-(3-vinyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-amino}-propionic acid methyl ester
CID 44266157

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine (CID 154643187) is ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine is CC.CC.CC.CCOC(=O)CCCCCCCCc1ccc2c(n1)N(C=O)CCC2.COC(C)(C)C.NCCOCCOCCOCCOc1ccccn1.
What is the InChIKey of ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is ZXXRALIMLYFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.C13H22N2O4.C5H12O.3C2H6/c1-2-25-19(24)12-8-6-4-3-5-7-11-18-14-13-17-10-9-15-22(16-23)20(17)21-18;14-4-6-16-7-8-17-9-10-18-11-12-19-13-3-1-2-5-15-13;1-5(2,3)6-4;3*1-2/h13-14,16H,2-12,15H2,1H3;1-3,5H,4,6-12,14H2;1-4H3;3*1-2H3.
What are the key properties of ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine?
ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 795.16 g/mol, XLogP of 8.81, 23 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 9-(8-formyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)nonanoate;2-methoxy-2-methylpropane;2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 154643187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).