ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate

C15H23NO3 — CID 116914253

IUPACethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(c1ccc(OC(C)C)cc1)N(C)C
InChIInChI=1S/C15H23NO3/c1-6-18-15(17)14(16(4)5)12-7-9-13(10-8-12)19-11(2)3/h7-11,14H,6H2,1-5H3
InChIKeyINGMBDYKQFYVII-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds6

About ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate

ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate (PubChem CID 116914253) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
PubChem CID116914253
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(c1ccc(OC(C)C)cc1)N(C)C
InChIInChI=1S/C15H23NO3/c1-6-18-15(17)14(16(4)5)12-7-9-13(10-8-12)19-11(2)3/h7-11,14H,6H2,1-5H3
InChIKeyINGMBDYKQFYVII-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
CID 116914266
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116905586
3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116908070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate (CID 116914253) is ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate is CCOC(=O)C(c1ccc(OC(C)C)cc1)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The InChIKey is INGMBDYKQFYVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-18-15(17)14(16(4)5)12-7-9-13(10-8-12)19-11(2)3/h7-11,14H,6H2,1-5H3.
What are the key properties of ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate?
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 116914253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).