1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate

C14H21NO4 — CID 103489106

IUPAC1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate
SMILESCCOCC(C)OC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C14H21NO4/c1-3-18-10-11(2)19-14(17)12-4-6-13(7-5-12)15-8-9-16/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyWZQAZBKPVWKMPU-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.67
Rot. Bonds8

About 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate

1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate (PubChem CID 103489106) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate
PubChem CID103489106
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate
SMILESCCOCC(C)OC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C14H21NO4/c1-3-18-10-11(2)19-14(17)12-4-6-13(7-5-12)15-8-9-16/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyWZQAZBKPVWKMPU-UHFFFAOYSA-N
XLogP1.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 4-(butylamino)benzoate
CID 43228867
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205
ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
(4-ethoxy-4-oxobutan-2-yl) 4-(decylamino)benzoate
CID 23457810
2-ethylhexyl 4-(2-hydroxyethylamino)benzoate
CID 61304667
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006
1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
CID 103489037
1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
CID 103489060
1-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66963212
[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate
CID 89282458
[2-[4-(hexadecylamino)benzoyl]oxy-3-hydroxypropyl] 4-(hexadecylamino)benzoate
CID 13255327

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate?
The IUPAC name of 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate (CID 103489106) is 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate?
The canonical SMILES for 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate is CCOCC(C)OC(=O)c1ccc(NCCO)cc1.
What is the InChIKey of 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate?
The InChIKey is WZQAZBKPVWKMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-18-10-11(2)19-14(17)12-4-6-13(7-5-12)15-8-9-16/h4-7,11,15-16H,3,8-10H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate?
1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate has a molecular weight of 267.32 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 103489106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).