ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate

C17H28N2O2 — CID 106677155

IUPACethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(CC)C(C)CN(C)C
InChIInChI=1S/C17H28N2O2/c1-6-19(14(3)13-18(4)5)16(17(20)21-7-2)15-11-9-8-10-12-15/h8-12,14,16H,6-7,13H2,1-5H3
InChIKeyIRUVHDBGAVYROI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.56
Rot. Bonds8

About ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate

ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate (PubChem CID 106677155) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
PubChem CID106677155
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(CC)C(C)CN(C)C
InChIInChI=1S/C17H28N2O2/c1-6-19(14(3)13-18(4)5)16(17(20)21-7-2)15-11-9-8-10-12-15/h8-12,14,16H,6-7,13H2,1-5H3
InChIKeyIRUVHDBGAVYROI-UHFFFAOYSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
CID 106677068
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-phenylacetate
CID 106677134
ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
CID 107200700
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate
CID 106677126
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
ethyl 2-hydroxy-2-phenylacetate
CID 90673198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate (CID 106677155) is ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(CC)C(C)CN(C)C.
What is the InChIKey of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate?
The InChIKey is IRUVHDBGAVYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-19(14(3)13-18(4)5)16(17(20)21-7-2)15-11-9-8-10-12-15/h8-12,14,16H,6-7,13H2,1-5H3.
What are the key properties of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate?
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate has a molecular weight of 292.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate is sourced from PubChem (CID 106677155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).