1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate

C16H25NO3 — CID 25239325

IUPAC1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
SMILESCCN(CC)CC(C)OC(=O)COc1ccccc1C
InChIInChI=1S/C16H25NO3/c1-5-17(6-2)11-14(4)20-16(18)12-19-15-10-8-7-9-13(15)3/h7-10,14H,5-6,11-12H2,1-4H3
InChIKeyKTUHHSUCARJUNE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.65
Rot. Bonds8

About 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate

1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate (PubChem CID 25239325) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
PubChem CID25239325
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
SMILESCCN(CC)CC(C)OC(=O)COc1ccccc1C
InChIInChI=1S/C16H25NO3/c1-5-17(6-2)11-14(4)20-16(18)12-19-15-10-8-7-9-13(15)3/h7-10,14H,5-6,11-12H2,1-4H3
InChIKeyKTUHHSUCARJUNE-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
CID 17065256
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
6-methylheptyl 2-(2-methylphenoxy)acetate
CID 169099759
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46629454
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 2554104

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate?
The IUPAC name of 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate (CID 25239325) is 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate.
What is the SMILES notation for 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate?
The canonical SMILES for 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate is CCN(CC)CC(C)OC(=O)COc1ccccc1C.
What is the InChIKey of 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate?
The InChIKey is KTUHHSUCARJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-17(6-2)11-14(4)20-16(18)12-19-15-10-8-7-9-13(15)3/h7-10,14H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate?
1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate has a molecular weight of 279.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 25239325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).