(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone

C18H25NO — CID 166826528

IUPAC(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone
SMILESCC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N2CC(C)(C)C2)cc1
InChIInChI=1S/C18H25NO/c1-12(2)15-9-16(15)13-5-7-14(8-6-13)17(20)19-10-18(3,4)11-19/h5-8,12,15-16H,9-11H2,1-4H3/t15-,16-/m1/s1
InChIKeySLGYZCJQHIDBKF-HZPDHXFCSA-N
MW271.40 g/mol
LogP3.93
Rot. Bonds3

About (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone

(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone (PubChem CID 166826528) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone
PubChem CID166826528
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone
SMILESCC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N2CC(C)(C)C2)cc1
InChIInChI=1S/C18H25NO/c1-12(2)15-9-16(15)13-5-7-14(8-6-13)17(20)19-10-18(3,4)11-19/h5-8,12,15-16H,9-11H2,1-4H3/t15-,16-/m1/s1
InChIKeySLGYZCJQHIDBKF-HZPDHXFCSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone (CID 166826528) is (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone is CC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N2CC(C)(C)C2)cc1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone?
The InChIKey is SLGYZCJQHIDBKF-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25NO/c1-12(2)15-9-16(15)13-5-7-14(8-6-13)17(20)19-10-18(3,4)11-19/h5-8,12,15-16H,9-11H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone?
(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone has a molecular weight of 271.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone is sourced from PubChem (CID 166826528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).