N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide

C20H25NO — CID 59836533

IUPACN-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
SMILESCC(C)(C)Cc1ccccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)15-17-11-7-8-12-18(17)21-19(22)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKeyHRIFMFIWHJRQSN-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.85
Rot. Bonds5

About N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide

N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide (PubChem CID 59836533) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
PubChem CID59836533
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
SMILESCC(C)(C)Cc1ccccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)15-17-11-7-8-12-18(17)21-19(22)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKeyHRIFMFIWHJRQSN-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide (CID 59836533) is N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide is CC(C)(C)Cc1ccccc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide?
The InChIKey is HRIFMFIWHJRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(2,3)15-17-11-7-8-12-18(17)21-19(22)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide?
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 59836533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).