[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate

C21H25NO5 — CID 71271662

IUPAC[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate
SMILESNC(CCO)(CCO)CCOC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H25NO5/c22-21(10-13-23,11-14-24)12-15-27-20(26)18-9-5-4-8-17(18)19(25)16-6-2-1-3-7-16/h1-9,23-24H,10-15,22H2
InChIKeyNYXWAPUMHVOHOX-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.93
Rot. Bonds10

About [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate

[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate (PubChem CID 71271662) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate
PubChem CID71271662
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate
SMILESNC(CCO)(CCO)CCOC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H25NO5/c22-21(10-13-23,11-14-24)12-15-27-20(26)18-9-5-4-8-17(18)19(25)16-6-2-1-3-7-16/h1-9,23-24H,10-15,22H2
InChIKeyNYXWAPUMHVOHOX-UHFFFAOYSA-N
XLogP1.93
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
amino 2-benzoylbenzoate
CID 19737509
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride
CID 110173843
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
sulfamoyl 2-benzoylbenzoate
CID 174297680
(3,5-dihydroxy-3-methylpentyl) benzoate
CID 67520822
(2-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313
2-(4-chlorophenyl)sulfanylethyl 2-benzoylbenzoate
CID 7695819
(6-hydroxy-3-methylhexan-3-yl) 2-benzoylbenzoate
CID 142234812
6-(3-methoxypropanoyloxy)hexyl 2-benzoylbenzoate
CID 155076175
bis(3-methyl-3-sulfanylbutyl) benzene-1,2-dicarboxylate
CID 131983572

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate?
The IUPAC name of [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate (CID 71271662) is [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate.
What is the SMILES notation for [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate?
The canonical SMILES for [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate is NC(CCO)(CCO)CCOC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate?
The InChIKey is NYXWAPUMHVOHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c22-21(10-13-23,11-14-24)12-15-27-20(26)18-9-5-4-8-17(18)19(25)16-6-2-1-3-7-16/h1-9,23-24H,10-15,22H2.
What are the key properties of [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate?
[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate has a molecular weight of 371.43 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate is sourced from PubChem (CID 71271662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).