2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone

C14H21NO2 — CID 70513847

IUPAC2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone
SMILESCCCC(CC)NC(O)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-8-12(4-2)15-14(17)13(16)11-9-6-5-7-10-11/h5-7,9-10,12,14-15,17H,3-4,8H2,1-2H3
InChIKeyVGZOATHOPXJAMV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds7

About 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone

2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone (PubChem CID 70513847) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone
PubChem CID70513847
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone
SMILESCCCC(CC)NC(O)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-8-12(4-2)15-14(17)13(16)11-9-6-5-7-10-11/h5-7,9-10,12,14-15,17H,3-4,8H2,1-2H3
InChIKeyVGZOATHOPXJAMV-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
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-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone
CID 69266981
2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
CID 172871870
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
N-hexan-3-yl-2-phenylacetamide
CID 129166933
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
3-chloro-2-hydroxy-1-phenylhexan-1-one
CID 21268919
1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
CID 22297830
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
(2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-1-phenylhexan-1-one
CID 11221099
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone (CID 70513847) is 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone is CCCC(CC)NC(O)C(=O)c1ccccc1.
What is the InChIKey of 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone?
The InChIKey is VGZOATHOPXJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-8-12(4-2)15-14(17)13(16)11-9-6-5-7-10-11/h5-7,9-10,12,14-15,17H,3-4,8H2,1-2H3.
What are the key properties of 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone?
2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone has a molecular weight of 235.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 70513847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).