2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone

C22H31NO2 — CID 159215785

IUPAC2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone
SMILESO=C(CC1CCCC1)c1cccc(C2CC2NCC2CCOCC2)c1
InChIInChI=1S/C22H31NO2/c24-22(12-16-4-1-2-5-16)19-7-3-6-18(13-19)20-14-21(20)23-15-17-8-10-25-11-9-17/h3,6-7,13,16-17,20-21,23H,1-2,4-5,8-12,14-15H2
InChIKeyKRAVVTGYNMZLBJ-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.32
Rot. Bonds7

About 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone

2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone (PubChem CID 159215785) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone
PubChem CID159215785
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone
SMILESO=C(CC1CCCC1)c1cccc(C2CC2NCC2CCOCC2)c1
InChIInChI=1S/C22H31NO2/c24-22(12-16-4-1-2-5-16)19-7-3-6-18(13-19)20-14-21(20)23-15-17-8-10-25-11-9-17/h3,6-7,13,16-17,20-21,23H,1-2,4-5,8-12,14-15H2
InChIKeyKRAVVTGYNMZLBJ-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone (CID 159215785) is 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone is O=C(CC1CCCC1)c1cccc(C2CC2NCC2CCOCC2)c1.
What is the InChIKey of 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone?
The InChIKey is KRAVVTGYNMZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c24-22(12-16-4-1-2-5-16)19-7-3-6-18(13-19)20-14-21(20)23-15-17-8-10-25-11-9-17/h3,6-7,13,16-17,20-21,23H,1-2,4-5,8-12,14-15H2.
What are the key properties of 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone?
2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone has a molecular weight of 341.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone is sourced from PubChem (CID 159215785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).