2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one

C13H19NO2 — CID 82100066

IUPAC2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
SMILESCCC(CO)NC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-12(9-15)14-10(2)13(16)11-7-5-4-6-8-11/h4-8,10,12,14-15H,3,9H2,1-2H3
InChIKeyGGYCDDVHBILRTJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds6

About 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one

2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one (PubChem CID 82100066) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
PubChem CID82100066
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
SMILESCCC(CO)NC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-12(9-15)14-10(2)13(16)11-7-5-4-6-8-11/h4-8,10,12,14-15H,3,9H2,1-2H3
InChIKeyGGYCDDVHBILRTJ-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
CID 82101058
ethyl 3-(1-hydroxybutan-2-ylamino)-4-oxo-4-phenylbutanoate
CID 82322023
2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100693
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
CID 82100610
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
2-anilino-1-phenylpropan-1-one
CID 577481
1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
CID 155432915
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one?
The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one (CID 82100066) is 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one?
The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one is CCC(CO)NC(C)C(=O)c1ccccc1.
What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one?
The InChIKey is GGYCDDVHBILRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-12(9-15)14-10(2)13(16)11-7-5-4-6-8-11/h4-8,10,12,14-15H,3,9H2,1-2H3.
What are the key properties of 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one?
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 82100066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).