2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone

C18H31NO2 — CID 104749866

IUPAC2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN(C1CCCCC1)C1CCCCC1)C1CCOC1
InChIInChI=1S/C18H31NO2/c20-18(15-11-12-21-14-15)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h15-17H,1-14H2
InChIKeyQCBVAWZKGRHOBO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.56
Rot. Bonds5

About 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone

2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone (PubChem CID 104749866) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone
PubChem CID104749866
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN(C1CCCCC1)C1CCCCC1)C1CCOC1
InChIInChI=1S/C18H31NO2/c20-18(15-11-12-21-14-15)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h15-17H,1-14H2
InChIKeyQCBVAWZKGRHOBO-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone (CID 104749866) is 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone is O=C(CN(C1CCCCC1)C1CCCCC1)C1CCOC1.
What is the InChIKey of 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone?
The InChIKey is QCBVAWZKGRHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c20-18(15-11-12-21-14-15)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h15-17H,1-14H2.
What are the key properties of 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone?
2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylamino)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).