[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate

C15H23NO4 — CID 2055324

IUPAC[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate
SMILESCCN(CC)CC[C@@H](C)OC(=O)c1ccc(O)cc1O
InChIInChI=1S/C15H23NO4/c1-4-16(5-2)9-8-11(3)20-15(19)13-7-6-12(17)10-14(13)18/h6-7,10-11,17-18H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyXYNOABBAMZJILH-LLVKDONJSA-N
MW281.35 g/mol
LogP2.38
Rot. Bonds7

About [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate

[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate (PubChem CID 2055324) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate
PubChem CID2055324
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate
SMILESCCN(CC)CC[C@@H](C)OC(=O)c1ccc(O)cc1O
InChIInChI=1S/C15H23NO4/c1-4-16(5-2)9-8-11(3)20-15(19)13-7-6-12(17)10-14(13)18/h6-7,10-11,17-18H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyXYNOABBAMZJILH-LLVKDONJSA-N
XLogP2.38
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6R)-6-acetyloxyundecan-2-yl] 2,4-dihydroxybenzoate
CID 102008990
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
CID 121004187
pentan-2-yl 2-chloro-4-hydroxybenzoate
CID 70617362
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
octan-2-yl 2-amino-5-hydroxybenzoate
CID 63540765
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
CID 142730754
4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride
CID 24836627
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2,4-dihydroxybenzoate
CID 41476323

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate?
The IUPAC name of [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate (CID 2055324) is [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate?
The canonical SMILES for [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate is CCN(CC)CC[C@@H](C)OC(=O)c1ccc(O)cc1O.
What is the InChIKey of [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate?
The InChIKey is XYNOABBAMZJILH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-16(5-2)9-8-11(3)20-15(19)13-7-6-12(17)10-14(13)18/h6-7,10-11,17-18H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate?
[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate has a molecular weight of 281.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2055324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).