(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate

C15H23NO4 — CID 102979001

IUPAC(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
SMILESCOC(C)(C)CCOC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,19-3)8-11-20-14(18)12-4-6-13(7-5-12)16-9-10-17/h4-7,16-17H,8-11H2,1-3H3
InChIKeyFQGAZPGTUBAUHL-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.06
Rot. Bonds8

About (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate

(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate (PubChem CID 102979001) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
PubChem CID102979001
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
SMILESCOC(C)(C)CCOC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,19-3)8-11-20-14(18)12-4-6-13(7-5-12)16-9-10-17/h4-7,16-17H,8-11H2,1-3H3
InChIKeyFQGAZPGTUBAUHL-UHFFFAOYSA-N
XLogP2.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-3-methylbutyl) 3,4-dimethylbenzoate
CID 130399772
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
CID 103021711
ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
CID 102975760
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
CID 82316616
2-(methylamino)ethyl 4-(butylamino)benzoate
CID 129194596
4-hydroxybutyl 4-(hexadecylamino)benzoate
CID 13019378
(3-methoxy-3-methylbutyl) 3-sulfanylbenzoate
CID 107019178
(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
CID 63221701
4-hydroxybutyl 4-[(3-ethoxy-3-oxopropyl)amino]benzoate
CID 21163287
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate (CID 102979001) is (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate is COC(C)(C)CCOC(=O)c1ccc(NCCO)cc1.
What is the InChIKey of (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate?
The InChIKey is FQGAZPGTUBAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,19-3)8-11-20-14(18)12-4-6-13(7-5-12)16-9-10-17/h4-7,16-17H,8-11H2,1-3H3.
What are the key properties of (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate?
(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate has a molecular weight of 281.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 102979001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).