5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide

C19H23NO — CID 66561959

IUPAC5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyDWLZUEABXCINMW-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.09
Rot. Bonds5

About 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide

5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide (PubChem CID 66561959) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide
PubChem CID66561959
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyDWLZUEABXCINMW-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide?
The IUPAC name of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide (CID 66561959) is 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide.
What is the SMILES notation for 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide?
The canonical SMILES for 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide is Cc1ccc(C(C)C)c(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide?
The InChIKey is DWLZUEABXCINMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide?
5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide is sourced from PubChem (CID 66561959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).