[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate

C14H21NO3 — CID 163634845

IUPAC[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
SMILESCC(=O)OC(CNC(C)C)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)15-9-14(18-12(3)16)10-17-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyHZEYUPZHZUATQF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds7

About [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate

[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate (PubChem CID 163634845) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
PubChem CID163634845
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
SMILESCC(=O)OC(CNC(C)C)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)15-9-14(18-12(3)16)10-17-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyHZEYUPZHZUATQF-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 11077480
[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] acetate
CID 10425337
[(2R)-1-cyano-3-phenoxypropan-2-yl] acetate
CID 101129348
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
CID 11759173
[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
CID 91428656
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
[1-(1,3-dioxoisoindol-2-yl)-3-phenoxypropan-2-yl] acetate
CID 101070696
[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-phenoxypropan-2-yl] acetate
CID 102589815
[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate
CID 57020685
acetic acid;1-phenoxypropan-2-ol
CID 68567525
2,3-dihydroxy-4-[1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxobutanoic acid
CID 70045976

Frequently Asked Questions

What is the IUPAC name of [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate?
The IUPAC name of [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate (CID 163634845) is [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate.
What is the SMILES notation for [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate?
The canonical SMILES for [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate is CC(=O)OC(CNC(C)C)COc1ccccc1.
What is the InChIKey of [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate?
The InChIKey is HZEYUPZHZUATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)15-9-14(18-12(3)16)10-17-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3.
What are the key properties of [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate?
[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate has a molecular weight of 251.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate is sourced from PubChem (CID 163634845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).