(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone

C14H20N2O3 — CID 79732255

IUPAC(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(N)(C(C)C)C2)cc1O
InChIInChI=1S/C14H20N2O3/c1-9(2)14(15)7-16(8-14)13(18)10-4-5-12(19-3)11(17)6-10/h4-6,9,17H,7-8,15H2,1-3H3
InChIKeyGIRISFXENCGLQA-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.21
Rot. Bonds3

About (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone

(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 79732255) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID79732255
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(N)(C(C)C)C2)cc1O
InChIInChI=1S/C14H20N2O3/c1-9(2)14(15)7-16(8-14)13(18)10-4-5-12(19-3)11(17)6-10/h4-6,9,17H,7-8,15H2,1-3H3
InChIKeyGIRISFXENCGLQA-UHFFFAOYSA-N
XLogP1.21
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79673450
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3-hydroxy-4-methoxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172346
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
[4-(2-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732941
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
(1R,5S)-3-(3-methoxy-4-propan-2-yloxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135093933
[4-(2-chloroethyl)piperazin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732443
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 154762450
3-hydroxy-4-methoxybenzoic acid
CID 12575

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone (CID 79732255) is (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC(N)(C(C)C)C2)cc1O.
What is the InChIKey of (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is GIRISFXENCGLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)14(15)7-16(8-14)13(18)10-4-5-12(19-3)11(17)6-10/h4-6,9,17H,7-8,15H2,1-3H3.
What are the key properties of (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 264.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 79732255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).