1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate

C19H35NO5 — CID 164933282

IUPAC1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
SMILESCOCCOC(=O)C1CCC(C(=O)OCCN(C(C)C)C(C)C)CC1
InChIInChI=1S/C19H35NO5/c1-14(2)20(15(3)4)10-11-24-18(21)16-6-8-17(9-7-16)19(22)25-13-12-23-5/h14-17H,6-13H2,1-5H3
InChIKeyOEUZKIDUYUJMTA-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.64
Rot. Bonds10

About 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate

1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate (PubChem CID 164933282) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
PubChem CID164933282
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
SMILESCOCCOC(=O)C1CCC(C(=O)OCCN(C(C)C)C(C)C)CC1
InChIInChI=1S/C19H35NO5/c1-14(2)20(15(3)4)10-11-24-18(21)16-6-8-17(9-7-16)19(22)25-13-12-23-5/h14-17H,6-13H2,1-5H3
InChIKeyOEUZKIDUYUJMTA-UHFFFAOYSA-N
XLogP2.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate with MolForge

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Related Compounds

Isomylamine
CID 28221
trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride
CID 206744
2-(Diethylamino)ethyl 2-cyclohexyl-4-methylpentanoate
CID 118798984
2-(Diethylamino)ethyl 4-methylcyclohexane-1-carboxylate
CID 206745
2-(Diethylamino)ethyl cyclohexanecarboxylate
CID 3621820
N,N-Bis(2-cyclohexanoyloxyethyl)methylamine
CID 19774312
[4-[3-[Methyl(2-propoxyethyl)amino]propanoyloxymethyl]cyclohexyl]methyl butanoate
CID 58478930
methyl trans-4-[[N-(2-methoxyethyl)-N-(tert-butyl)amino]-methyl]cyclohexanecarboxylate
CID 69299084
Methyl 4-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylate
CID 69299983
10-O-[2-[di(propan-2-yl)amino]ethyl] 1-O,19-O-bis(5-methyl-2-propan-2-ylhexyl) nonadecane-1,10,19-tricarboxylate
CID 89719825
2-(Cyclohexanecarbonyloxy)ethyl-triethylazanium
CID 117785040
Butyl-[2-(cyclohexanecarbonyloxy)ethyl]-ethyl-propylazanium
CID 117785076

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate?
The IUPAC name of 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate (CID 164933282) is 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate?
The canonical SMILES for 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate is COCCOC(=O)C1CCC(C(=O)OCCN(C(C)C)C(C)C)CC1.
What is the InChIKey of 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate?
The InChIKey is OEUZKIDUYUJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-14(2)20(15(3)4)10-11-24-18(21)16-6-8-17(9-7-16)19(22)25-13-12-23-5/h14-17H,6-13H2,1-5H3.
What are the key properties of 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate?
1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate has a molecular weight of 357.49 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 164933282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).