4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one

C16H24N2O2 — CID 107220236

IUPAC4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one
SMILESCC(C)C1(O)CN(C(=O)CCC(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)16(20)10-18(11-16)15(19)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,14,20H,8-11,17H2,1-2H3
InChIKeyIEJGXIFIMVCKPY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds5

About 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one

4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one (PubChem CID 107220236) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one
PubChem CID107220236
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one
SMILESCC(C)C1(O)CN(C(=O)CCC(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)16(20)10-18(11-16)15(19)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,14,20H,8-11,17H2,1-2H3
InChIKeyIEJGXIFIMVCKPY-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 115740223
4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one
CID 124685403
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
4-[(4S)-4-amino-4-phenylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 124555736

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one (CID 107220236) is 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one is CC(C)C1(O)CN(C(=O)CCC(N)c2ccccc2)C1.
What is the InChIKey of 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is IEJGXIFIMVCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)16(20)10-18(11-16)15(19)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,14,20H,8-11,17H2,1-2H3.
What are the key properties of 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one?
4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 107220236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).