2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate

C15H21NO3 — CID 152620766

IUPAC2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
SMILESCC(C)=COCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-12(2)11-18-9-10-19-15(17)13-5-7-14(8-6-13)16(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyZBLXPRAXYHGPNR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.85
Rot. Bonds6

About 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate

2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate (PubChem CID 152620766) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
PubChem CID152620766
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
SMILESCC(C)=COCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-12(2)11-18-9-10-19-15(17)13-5-7-14(8-6-13)16(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyZBLXPRAXYHGPNR-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
CID 141413988
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
CID 70858409
CID 70858409
2-(3-iminobutanoyloxy)ethyl 4-(dimethylamino)benzoate
CID 54098147
2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]ethyl 4-(dimethylamino)benzoate
CID 58027721
2-ethenoxyethyl 4-[4-(2-ethenoxyethoxycarbonyl)-N-[4-(2-ethenoxyethoxycarbonyl)phenyl]anilino]benzoate
CID 163609635
2-(2-methoxyethyldisulfanyl)ethyl 4-(dimethylamino)benzoate
CID 155017111
2-[2-(2-methylprop-1-enoxy)ethoxycarbonyl]benzoic acid
CID 150151301
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
nitrous acid;octyl 4-(dimethylamino)benzoate
CID 174402955

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate (CID 152620766) is 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate is CC(C)=COCCOC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate?
The InChIKey is ZBLXPRAXYHGPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(2)11-18-9-10-19-15(17)13-5-7-14(8-6-13)16(3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate?
2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 152620766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).