2-[4-(benzamidomethyl)phenyl]ethyl benzoate

C23H21NO3 — CID 67530892

IUPAC2-[4-(benzamidomethyl)phenyl]ethyl benzoate
SMILESO=C(NCc1ccc(CCOC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(20-7-3-1-4-8-20)24-17-19-13-11-18(12-14-19)15-16-27-23(26)21-9-5-2-6-10-21/h1-14H,15-17H2,(H,24,25)
InChIKeyGWYGDLIQCKABEQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.02
Rot. Bonds7

About 2-[4-(benzamidomethyl)phenyl]ethyl benzoate

2-[4-(benzamidomethyl)phenyl]ethyl benzoate (PubChem CID 67530892) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-(benzamidomethyl)phenyl]ethyl benzoate.

Molecular Properties

Compound Name2-[4-(benzamidomethyl)phenyl]ethyl benzoate
PubChem CID67530892
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-[4-(benzamidomethyl)phenyl]ethyl benzoate
SMILESO=C(NCc1ccc(CCOC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(20-7-3-1-4-8-20)24-17-19-13-11-18(12-14-19)15-16-27-23(26)21-9-5-2-6-10-21/h1-14H,15-17H2,(H,24,25)
InChIKeyGWYGDLIQCKABEQ-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
4-(benzamidomethyl)benzoic acid
CID 10879683
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
2-phenylethyl 4-hydroxybenzoate
CID 11977778
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
CID 46819126
azane;2-methoxyethyl benzoate
CID 174560204
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzamidomethyl)phenyl]ethyl benzoate?
The IUPAC name of 2-[4-(benzamidomethyl)phenyl]ethyl benzoate (CID 67530892) is 2-[4-(benzamidomethyl)phenyl]ethyl benzoate.
What is the SMILES notation for 2-[4-(benzamidomethyl)phenyl]ethyl benzoate?
The canonical SMILES for 2-[4-(benzamidomethyl)phenyl]ethyl benzoate is O=C(NCc1ccc(CCOC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(benzamidomethyl)phenyl]ethyl benzoate?
The InChIKey is GWYGDLIQCKABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(20-7-3-1-4-8-20)24-17-19-13-11-18(12-14-19)15-16-27-23(26)21-9-5-2-6-10-21/h1-14H,15-17H2,(H,24,25).
What are the key properties of 2-[4-(benzamidomethyl)phenyl]ethyl benzoate?
2-[4-(benzamidomethyl)phenyl]ethyl benzoate has a molecular weight of 359.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzamidomethyl)phenyl]ethyl benzoate is sourced from PubChem (CID 67530892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).