methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate

C20H21NO5 — CID 17222269

IUPACmethyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H21NO5/c1-24-20(23)15-4-8-16(9-5-15)21-19(22)14-6-10-17(11-7-14)26-13-18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyHGNOHVGFOXJBNW-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.28
Rot. Bonds6

About methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate

methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate (PubChem CID 17222269) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
PubChem CID17222269
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H21NO5/c1-24-20(23)15-4-8-16(9-5-15)21-19(22)14-6-10-17(11-7-14)26-13-18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyHGNOHVGFOXJBNW-UHFFFAOYSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
methyl 4-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178607
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate (CID 17222269) is methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
The InChIKey is HGNOHVGFOXJBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-20(23)15-4-8-16(9-5-15)21-19(22)14-6-10-17(11-7-14)26-13-18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 17222269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).