(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate

C18H25NO4 — CID 102563690

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate
SMILESCCCN(CC)c1ccc(C(=O)OC2C(=O)OCC2(C)C)cc1
InChIInChI=1S/C18H25NO4/c1-5-11-19(6-2)14-9-7-13(8-10-14)16(20)23-15-17(21)22-12-18(15,3)4/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeyHFLWATFABYISKZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.03
Rot. Bonds6

About (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate

(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate (PubChem CID 102563690) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate
PubChem CID102563690
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate
SMILESCCCN(CC)c1ccc(C(=O)OC2C(=O)OCC2(C)C)cc1
InChIInChI=1S/C18H25NO4/c1-5-11-19(6-2)14-9-7-13(8-10-14)16(20)23-15-17(21)22-12-18(15,3)4/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeyHFLWATFABYISKZ-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate (CID 102563690) is (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate is CCCN(CC)c1ccc(C(=O)OC2C(=O)OCC2(C)C)cc1.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate?
The InChIKey is HFLWATFABYISKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-5-11-19(6-2)14-9-7-13(8-10-14)16(20)23-15-17(21)22-12-18(15,3)4/h7-10,15H,5-6,11-12H2,1-4H3.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate?
(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate has a molecular weight of 319.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate is sourced from PubChem (CID 102563690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).