[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone

C14H20N2O3 — CID 118768901

IUPAC[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC(O)C2)cc1OCCCN
InChIInChI=1S/C14H20N2O3/c1-10-3-4-11(7-13(10)19-6-2-5-15)14(18)16-8-12(17)9-16/h3-4,7,12,17H,2,5-6,8-9,15H2,1H3
InChIKeyOBPSFBOIQZPTQK-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.54
Rot. Bonds5

About [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone

[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 118768901) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID118768901
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC(O)C2)cc1OCCCN
InChIInChI=1S/C14H20N2O3/c1-10-3-4-11(7-13(10)19-6-2-5-15)14(18)16-8-12(17)9-16/h3-4,7,12,17H,2,5-6,8-9,15H2,1H3
InChIKeyOBPSFBOIQZPTQK-UHFFFAOYSA-N
XLogP0.54
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-2-(4-Diisopropylcarbamoyl-2-isopropoxy-benzoylamino)-4-methyl-pentanoic acid methyl ester
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Terephthalamide scaffold, 10
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3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 3118713
(2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide
CID 68541056
N-((2S,3S,5S)-2-amino-5-(butylcarbamoyl)-3-hydroxy-6-methylheptyl)-4-ethyl-N-isopropyl-3-(3-methoxypropoxy)benzamide
CID 45270275
Flualamide
CID 71836
Terephthalamide scaffold, 24
CID 11339175
Terephthalamide scaffold, 37
CID 11187645
Terephthalamide scaffold, 40
CID 11294190
Terephthalamide scaffold, 35
CID 11350042
Terephthalamide scaffold, 39
CID 11407507

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone (CID 118768901) is [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone is Cc1ccc(C(=O)N2CC(O)C2)cc1OCCCN.
What is the InChIKey of [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is OBPSFBOIQZPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-11(7-13(10)19-6-2-5-15)14(18)16-8-12(17)9-16/h3-4,7,12,17H,2,5-6,8-9,15H2,1H3.
What are the key properties of [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone?
[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 118768901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).