1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone

C25H31NO2 — CID 139369144

IUPAC1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
SMILESO=C(COC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C25H31NO2/c27-25(22-11-12-22)19-28-24-15-13-23(14-16-24)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,22-24H,11-19H2
InChIKeyKKVXSBAJNZMXHS-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.00
Rot. Bonds9

About 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone

1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone (PubChem CID 139369144) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
PubChem CID139369144
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
SMILESO=C(COC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C25H31NO2/c27-25(22-11-12-22)19-28-24-15-13-23(14-16-24)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,22-24H,11-19H2
InChIKeyKKVXSBAJNZMXHS-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone?
The IUPAC name of 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone (CID 139369144) is 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone is O=C(COC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone?
The InChIKey is KKVXSBAJNZMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c27-25(22-11-12-22)19-28-24-15-13-23(14-16-24)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,22-24H,11-19H2.
What are the key properties of 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone?
1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone has a molecular weight of 377.53 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone is sourced from PubChem (CID 139369144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).