ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate

C14H21NO3 — CID 116914223

IUPACethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
SMILESCCOC(=O)C(c1ccc(OC)c(C)c1)N(C)C
InChIInChI=1S/C14H21NO3/c1-6-18-14(16)13(15(3)4)11-7-8-12(17-5)10(2)9-11/h7-9,13H,6H2,1-5H3
InChIKeyVZHMCFKCRHNBAU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.17
Rot. Bonds5

About ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate

ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate (PubChem CID 116914223) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
PubChem CID116914223
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
SMILESCCOC(=O)C(c1ccc(OC)c(C)c1)N(C)C
InChIInChI=1S/C14H21NO3/c1-6-18-14(16)13(15(3)4)11-7-8-12(17-5)10(2)9-11/h7-9,13H,6H2,1-5H3
InChIKeyVZHMCFKCRHNBAU-UHFFFAOYSA-N
XLogP2.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
2-amino-3-(dimethylamino)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 116911440
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate?
The IUPAC name of ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate (CID 116914223) is ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate is CCOC(=O)C(c1ccc(OC)c(C)c1)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate?
The InChIKey is VZHMCFKCRHNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-18-14(16)13(15(3)4)11-7-8-12(17-5)10(2)9-11/h7-9,13H,6H2,1-5H3.
What are the key properties of ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate?
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.17, 5 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-methoxy-3-methylphenyl)acetate is sourced from PubChem (CID 116914223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).