2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone

C11H15NO2 — CID 69266981

IUPAC2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone
SMILESCC(C)NC(O)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(2)12-11(14)10(13)9-6-4-3-5-7-9/h3-8,11-12,14H,1-2H3
InChIKeyBQPWHTUYVDYJFN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.19
Rot. Bonds4

About 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone

2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone (PubChem CID 69266981) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone
PubChem CID69266981
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone
SMILESCC(C)NC(O)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(2)12-11(14)10(13)9-6-4-3-5-7-9/h3-8,11-12,14H,1-2H3
InChIKeyBQPWHTUYVDYJFN-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone
CID 70513847
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
CID 82347400
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
CID 155432915
2-anilino-1-phenylpropan-1-one
CID 577481
N-hydroxy-2-methyl-3-oxo-3-phenylpropanamide
CID 3725961
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
(1-oxo-1-phenylbutan-2-yl) formate;N-propan-2-ylpropan-2-amine
CID 174932868

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone?
The IUPAC name of 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone (CID 69266981) is 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone is CC(C)NC(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone?
The InChIKey is BQPWHTUYVDYJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)12-11(14)10(13)9-6-4-3-5-7-9/h3-8,11-12,14H,1-2H3.
What are the key properties of 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone?
2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 69266981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).