2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid

C19H19NO5 — CID 4957872

IUPAC2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H19NO5/c21-18(16-5-1-2-6-17(16)19(22)23)20-13-7-9-14(10-8-13)25-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21)(H,22,23)
InChIKeyRDCWTWYLLAJMTE-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.19
Rot. Bonds6

About 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid

2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid (PubChem CID 4957872) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
PubChem CID4957872
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H19NO5/c21-18(16-5-1-2-6-17(16)19(22)23)20-13-7-9-14(10-8-13)25-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21)(H,22,23)
InChIKeyRDCWTWYLLAJMTE-UHFFFAOYSA-N
XLogP3.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233663
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid (CID 4957872) is 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid?
The InChIKey is RDCWTWYLLAJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(16-5-1-2-6-17(16)19(22)23)20-13-7-9-14(10-8-13)25-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid?
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid has a molecular weight of 341.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 4957872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).