[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C19H25NO4 — CID 4317895

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESO=C(COC(=O)COc1ccc2c(c1)CCC2)NC1CCCCC1
InChIInChI=1S/C19H25NO4/c21-18(20-16-7-2-1-3-8-16)12-24-19(22)13-23-17-10-9-14-5-4-6-15(14)11-17/h9-11,16H,1-8,12-13H2,(H,20,21)
InChIKeyQQVOHYBWAIBSIO-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.55
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 4317895) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID4317895
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESO=C(COC(=O)COc1ccc2c(c1)CCC2)NC1CCCCC1
InChIInChI=1S/C19H25NO4/c21-18(20-16-7-2-1-3-8-16)12-24-19(22)13-23-17-10-9-14-5-4-6-15(14)11-17/h9-11,16H,1-8,12-13H2,(H,20,21)
InChIKeyQQVOHYBWAIBSIO-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 4317895) is [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is O=C(COC(=O)COc1ccc2c(c1)CCC2)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is QQVOHYBWAIBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c21-18(20-16-7-2-1-3-8-16)12-24-19(22)13-23-17-10-9-14-5-4-6-15(14)11-17/h9-11,16H,1-8,12-13H2,(H,20,21).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 331.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 4317895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).