2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate

C17H27NO3 — CID 27483

IUPAC2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-5-18(6-2)11-12-20-17(19)15-7-9-16(10-8-15)21-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKeyKBOIKZATBIQPES-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.22
Rot. Bonds9

About 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate

2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate (PubChem CID 27483) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate
PubChem CID27483
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-5-18(6-2)11-12-20-17(19)15-7-9-16(10-8-15)21-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKeyKBOIKZATBIQPES-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 4-(2-methylpropoxy)benzoate
CID 82186422
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
[4-(2-methylpropoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17149614
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate (CID 27483) is 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate is CCN(CC)CCOC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate?
The InChIKey is KBOIKZATBIQPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-18(6-2)11-12-20-17(19)15-7-9-16(10-8-15)21-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate?
2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate has a molecular weight of 293.41 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 27483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).