2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate

C17H27NO3 — CID 75420449

IUPAC2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
SMILESCCN(CC)C(C(=O)OCCOC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-18(6-2)16(15-10-8-7-9-11-15)17(19)21-13-12-20-14(3)4/h7-11,14,16H,5-6,12-13H2,1-4H3
InChIKeyVHDXSTLPPDFPCD-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.04
Rot. Bonds9

About 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate

2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate (PubChem CID 75420449) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
PubChem CID75420449
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
SMILESCCN(CC)C(C(=O)OCCOC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-18(6-2)16(15-10-8-7-9-11-15)17(19)21-13-12-20-14(3)4/h7-11,14,16H,5-6,12-13H2,1-4H3
InChIKeyVHDXSTLPPDFPCD-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxyethyl 2-(diethylamino)-2-phenylacetate
CID 75452248
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
CID 16393
furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
CID 97262289
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
propyl (2R)-2-phenylpropanoate
CID 14926551
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
CID 120506976

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate?
The IUPAC name of 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate (CID 75420449) is 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate is CCN(CC)C(C(=O)OCCOC(C)C)c1ccccc1.
What is the InChIKey of 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate?
The InChIKey is VHDXSTLPPDFPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-18(6-2)16(15-10-8-7-9-11-15)17(19)21-13-12-20-14(3)4/h7-11,14,16H,5-6,12-13H2,1-4H3.
What are the key properties of 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate?
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate has a molecular weight of 293.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate is sourced from PubChem (CID 75420449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).