[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate

C14H21NO3 — CID 3028283

IUPAC[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate
SMILESCC(=O)OC(O)CN(C)C(C)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(9-13-7-5-4-6-8-13)15(3)10-14(17)18-12(2)16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyHKCIFZKHGAGZGI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds6

About [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate

[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate (PubChem CID 3028283) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate.

Molecular Properties

Compound Name[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate
PubChem CID3028283
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate
SMILESCC(=O)OC(O)CN(C)C(C)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(9-13-7-5-4-6-8-13)15(3)10-14(17)18-12(2)16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyHKCIFZKHGAGZGI-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(3-amino-1-phenylbutan-2-yl) acetate
CID 66681091
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride
CID 3031007
N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide
CID 6421727
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide
CID 10544561
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate?
The IUPAC name of [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate (CID 3028283) is [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate.
What is the SMILES notation for [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate?
The canonical SMILES for [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate is CC(=O)OC(O)CN(C)C(C)Cc1ccccc1.
What is the InChIKey of [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate?
The InChIKey is HKCIFZKHGAGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(9-13-7-5-4-6-8-13)15(3)10-14(17)18-12(2)16/h4-8,11,14,17H,9-10H2,1-3H3.
What are the key properties of [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate?
[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate has a molecular weight of 251.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate is sourced from PubChem (CID 3028283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).