(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone

C14H20N2O2 — CID 107223814

IUPAC(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2NC)C1
InChIInChI=1S/C14H20N2O2/c1-3-8-14(18)9-16(10-14)13(17)11-6-4-5-7-12(11)15-2/h4-7,15,18H,3,8-10H2,1-2H3
InChIKeyQQPAXIWIDMLEGP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds4

About (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone

(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone (PubChem CID 107223814) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
PubChem CID107223814
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2NC)C1
InChIInChI=1S/C14H20N2O2/c1-3-8-14(18)9-16(10-14)13(17)11-6-4-5-7-12(11)15-2/h4-7,15,18H,3,8-10H2,1-2H3
InChIKeyQQPAXIWIDMLEGP-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107223818
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 102883842
(4-hydroxy-4-propylpiperidin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 126805891
[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63620069
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone?
The IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone (CID 107223814) is (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone is CCCC1(O)CN(C(=O)c2ccccc2NC)C1.
What is the InChIKey of (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone?
The InChIKey is QQPAXIWIDMLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-8-14(18)9-16(10-14)13(17)11-6-4-5-7-12(11)15-2/h4-7,15,18H,3,8-10H2,1-2H3.
What are the key properties of (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone?
(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone is sourced from PubChem (CID 107223814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).