2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate

C21H27NO3 — CID 71436593

IUPAC2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate
SMILESCC(COC(=O)COCC(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C21H27NO3/c1-17(22(2)3)14-25-21(23)16-24-15-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3
InChIKeyCEWBGCARBZLZNH-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.33
Rot. Bonds9

About 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate

2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate (PubChem CID 71436593) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate.

Molecular Properties

Compound Name2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate
PubChem CID71436593
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate
SMILESCC(COC(=O)COCC(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C21H27NO3/c1-17(22(2)3)14-25-21(23)16-24-15-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3
InChIKeyCEWBGCARBZLZNH-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712098
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
6-(2,2-diphenylethoxy)-6-oxohexanoic acid
CID 141096193
2-(2,2-diphenylethoxy)-2-oxoacetic acid
CID 70576459
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
ethyl (2S)-2-phenylpropanoate
CID 7204861
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
2-methylpropyl (3R)-4-amino-3-phenylbutanoate
CID 2057331
[phenyl(propanoyloxy)methyl] 2-methylpropanoate
CID 58579244

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate?
The IUPAC name of 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate (CID 71436593) is 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate.
What is the SMILES notation for 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate?
The canonical SMILES for 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate is CC(COC(=O)COCC(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate?
The InChIKey is CEWBGCARBZLZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-17(22(2)3)14-25-21(23)16-24-15-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3.
What are the key properties of 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate?
2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate has a molecular weight of 341.45 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate is sourced from PubChem (CID 71436593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).