propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate

C22H25NO5 — CID 24633199

IUPACpropan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H25NO5/c1-15(2)28-22(25)16-8-10-18(11-9-16)23-21(24)17-5-3-6-19(13-17)27-14-20-7-4-12-26-20/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,24)
InChIKeyBWXUWJONHCBVGJ-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.06
Rot. Bonds7

About propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate

propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate (PubChem CID 24633199) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
PubChem CID24633199
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namepropan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H25NO5/c1-15(2)28-22(25)16-8-10-18(11-9-16)23-21(24)17-5-3-6-19(13-17)27-14-20-7-4-12-26-20/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,24)
InChIKeyBWXUWJONHCBVGJ-UHFFFAOYSA-N
XLogP4.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17149811
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate (CID 24633199) is propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
The InChIKey is BWXUWJONHCBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15(2)28-22(25)16-8-10-18(11-9-16)23-21(24)17-5-3-6-19(13-17)27-14-20-7-4-12-26-20/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,24).
What are the key properties of propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate?
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate has a molecular weight of 383.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 24633199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).