4-tert-butyl-N-(2-phenylethyl)benzamide

C19H23NO — CID 809340

IUPAC4-tert-butyl-N-(2-phenylethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-19(2,3)17-11-9-16(10-12-17)18(21)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyBRWOQCXXKVWYTL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.96
Rot. Bonds4

About 4-tert-butyl-N-(2-phenylethyl)benzamide

4-tert-butyl-N-(2-phenylethyl)benzamide (PubChem CID 809340) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenylethyl)benzamide
PubChem CID809340
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-tert-butyl-N-(2-phenylethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-19(2,3)17-11-9-16(10-12-17)18(21)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyBRWOQCXXKVWYTL-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-phenylethyl)benzamide (CID 809340) is 4-tert-butyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-phenylethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenylethyl)benzamide?
The InChIKey is BRWOQCXXKVWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)17-11-9-16(10-12-17)18(21)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(2-phenylethyl)benzamide?
4-tert-butyl-N-(2-phenylethyl)benzamide has a molecular weight of 281.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 809340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).