(2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate

C16H13NO6 — CID 25163357

IUPAC(2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC(=O)c1ccccc1
InChIInChI=1S/C16H13NO6/c18-11-6-7-12(13(19)8-11)16(22)23-9-14(20)17-15(21)10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,17,20,21)
InChIKeyVTLZZPUYOAZLQW-UHFFFAOYSA-N
MW315.28 g/mol
LogP1.21
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate

(2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate (PubChem CID 25163357) has the molecular formula C16H13NO6 and a molecular weight of 315.28 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate
PubChem CID25163357
Molecular FormulaC16H13NO6
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name(2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC(=O)c1ccccc1
InChIInChI=1S/C16H13NO6/c18-11-6-7-12(13(19)8-11)16(22)23-9-14(20)17-15(21)10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,17,20,21)
InChIKeyVTLZZPUYOAZLQW-UHFFFAOYSA-N
XLogP1.21
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-(Benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2352506
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 2647994
(2-Benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505074
[2-[(2-Methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2631438
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 25162864
N-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
CID 118727369
N-[6-[benzyl(methyl)amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
CID 118727374
[2-(Cyclopropylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536777
[2-(Cycloheptylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 4803824

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate (CID 25163357) is (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate?
The InChIKey is VTLZZPUYOAZLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO6/c18-11-6-7-12(13(19)8-11)16(22)23-9-14(20)17-15(21)10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,17,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate?
(2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate has a molecular weight of 315.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2,4-dihydroxybenzoate is sourced from PubChem (CID 25163357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).