propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate

C25H23NO5 — CID 2199290

IUPACpropan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(2)31-25(29)21-10-8-18(9-11-21)16-30-24(28)20-12-14-22(15-13-20)26-23(27)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27)
InChIKeyJTOQVJXLNTYPJG-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.86
Rot. Bonds7

About propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate

propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate (PubChem CID 2199290) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
PubChem CID2199290
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Namepropan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(2)31-25(29)21-10-8-18(9-11-21)16-30-24(28)20-12-14-22(15-13-20)26-23(27)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27)
InChIKeyJTOQVJXLNTYPJG-UHFFFAOYSA-N
XLogP4.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
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propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
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propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
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N-(4-ethylphenyl)benzamide
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propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
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CID 1183511

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate?
The IUPAC name of propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate (CID 2199290) is propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate is CC(C)OC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate?
The InChIKey is JTOQVJXLNTYPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17(2)31-25(29)21-10-8-18(9-11-21)16-30-24(28)20-12-14-22(15-13-20)26-23(27)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27).
What are the key properties of propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate?
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate has a molecular weight of 417.46 g/mol, XLogP of 4.86, 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-[(4-benzamidobenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 2199290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).