2-phenylpropan-2-yl 4-benzamidobenzoate

C23H21NO3 — CID 58709253

IUPAC2-phenylpropan-2-yl 4-benzamidobenzoate
SMILESCC(C)(OC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-23(2,19-11-7-4-8-12-19)27-22(26)18-13-15-20(16-14-18)24-21(25)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,24,25)
InChIKeyNRTYUUKRRBEPRG-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.03
Rot. Bonds5

About 2-phenylpropan-2-yl 4-benzamidobenzoate

2-phenylpropan-2-yl 4-benzamidobenzoate (PubChem CID 58709253) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-phenylpropan-2-yl 4-benzamidobenzoate.

Molecular Properties

Compound Name2-phenylpropan-2-yl 4-benzamidobenzoate
PubChem CID58709253
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-phenylpropan-2-yl 4-benzamidobenzoate
SMILESCC(C)(OC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-23(2,19-11-7-4-8-12-19)27-22(26)18-13-15-20(16-14-18)24-21(25)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,24,25)
InChIKeyNRTYUUKRRBEPRG-UHFFFAOYSA-N
XLogP5.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
(4-benzamidophenyl) benzoate
CID 569583
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
N-[4-(benzoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 1348500
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
(4-benzamidophenyl)carbamic acid
CID 18543096
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-(ethylamino)phenyl]benzamide
CID 71038629

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl 4-benzamidobenzoate?
The IUPAC name of 2-phenylpropan-2-yl 4-benzamidobenzoate (CID 58709253) is 2-phenylpropan-2-yl 4-benzamidobenzoate.
What is the SMILES notation for 2-phenylpropan-2-yl 4-benzamidobenzoate?
The canonical SMILES for 2-phenylpropan-2-yl 4-benzamidobenzoate is CC(C)(OC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl 4-benzamidobenzoate?
The InChIKey is NRTYUUKRRBEPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-23(2,19-11-7-4-8-12-19)27-22(26)18-13-15-20(16-14-18)24-21(25)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,24,25).
What are the key properties of 2-phenylpropan-2-yl 4-benzamidobenzoate?
2-phenylpropan-2-yl 4-benzamidobenzoate has a molecular weight of 359.43 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl 4-benzamidobenzoate is sourced from PubChem (CID 58709253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).