1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate

C19H35NO5 — CID 164933306

IUPAC1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
SMILESCCCN(CCC)CCOC(=O)C1CCCCC1C(=O)OCCOC
InChIInChI=1S/C19H35NO5/c1-4-10-20(11-5-2)12-13-24-18(21)16-8-6-7-9-17(16)19(22)25-15-14-23-3/h16-17H,4-15H2,1-3H3
InChIKeyMAJHVCAGCFMGNR-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.65
Rot. Bonds12

About 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate

1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate (PubChem CID 164933306) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
PubChem CID164933306
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
SMILESCCCN(CCC)CCOC(=O)C1CCCCC1C(=O)OCCOC
InChIInChI=1S/C19H35NO5/c1-4-10-20(11-5-2)12-13-24-18(21)16-8-6-7-9-17(16)19(22)25-15-14-23-3/h16-17H,4-15H2,1-3H3
InChIKeyMAJHVCAGCFMGNR-UHFFFAOYSA-N
XLogP2.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.65
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-O-(2-methoxyethyl) 1-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 91721705
2-O-(2-methoxyethyl) 1-O-[2-(N-methylanilino)ethyl] cyclohexane-1,2-dicarboxylate
CID 164933256
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206
propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 157438884
2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243
2-O-(2-ethoxyethyl) 1-O-methyl cyclohexane-1,2-dicarboxylate
CID 147126734
2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
CID 164933243
2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
1-O-propyl 2-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 69474239
2-methylprop-1-ene;propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 160929213
prop-1-ene;propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 157438883

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
The IUPAC name of 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate (CID 164933306) is 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate is CCCN(CCC)CCOC(=O)C1CCCCC1C(=O)OCCOC.
What is the InChIKey of 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
The InChIKey is MAJHVCAGCFMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-4-10-20(11-5-2)12-13-24-18(21)16-8-6-7-9-17(16)19(22)25-15-14-23-3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate has a molecular weight of 357.49 g/mol, XLogP of 2.65, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 164933306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).