3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

C19H23NO — CID 563207

IUPAC3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)18-11-8-17(9-12-18)14-20-19(21)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,20,21)
InChIKeyJYYUOWDOLMFQHT-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.06
Rot. Bonds6

About 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 563207) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID563207
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)18-11-8-17(9-12-18)14-20-19(21)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,20,21)
InChIKeyJYYUOWDOLMFQHT-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 563207) is 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is JYYUOWDOLMFQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(2)18-11-8-17(9-12-18)14-20-19(21)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,20,21).
What are the key properties of 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 563207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).