2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate

C19H23NO3 — CID 21720

IUPAC2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate
SMILESCCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyHLDCSYXMVXILQC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.56
Rot. Bonds7

About 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate

2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate (PubChem CID 21720) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate
PubChem CID21720
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate
SMILESCCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyHLDCSYXMVXILQC-UHFFFAOYSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid
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{[2-(3-Cyclohexanecarbonyl-biphenyl-4-yloxy)-ethyl]-methyl-amino}-acetic acid
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[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate?
The IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate (CID 21720) is 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate is CCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate?
The InChIKey is HLDCSYXMVXILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate?
2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate has a molecular weight of 313.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate is sourced from PubChem (CID 21720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).