(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone

C19H21NO2 — CID 155462351

IUPAC(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
SMILESCC1(C)CN(C(=O)c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H21NO2/c1-19(2)13-20(14-19)18(21)16-9-6-10-17(11-16)22-12-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3
InChIKeyQJKKGXVUIMIPRE-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.75
Rot. Bonds4

About (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone

(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone (PubChem CID 155462351) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
PubChem CID155462351
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
SMILESCC1(C)CN(C(=O)c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H21NO2/c1-19(2)13-20(14-19)18(21)16-9-6-10-17(11-16)22-12-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3
InChIKeyQJKKGXVUIMIPRE-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone (CID 155462351) is (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone is CC1(C)CN(C(=O)c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
The InChIKey is QJKKGXVUIMIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)13-20(14-19)18(21)16-9-6-10-17(11-16)22-12-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3.
What are the key properties of (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 155462351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).