N-benzyl-N-tert-butyl-3-phenylpropanamide

C20H25NO — CID 1319993

IUPACN-benzyl-N-tert-butyl-3-phenylpropanamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)21(16-18-12-8-5-9-13-18)19(22)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyWJDQWKPCOFPVIK-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.45
Rot. Bonds5

About N-benzyl-N-tert-butyl-3-phenylpropanamide

N-benzyl-N-tert-butyl-3-phenylpropanamide (PubChem CID 1319993) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-3-phenylpropanamide
PubChem CID1319993
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-benzyl-N-tert-butyl-3-phenylpropanamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)21(16-18-12-8-5-9-13-18)19(22)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyWJDQWKPCOFPVIK-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-3-phenylpropanamide?
The IUPAC name of N-benzyl-N-tert-butyl-3-phenylpropanamide (CID 1319993) is N-benzyl-N-tert-butyl-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-3-phenylpropanamide?
The canonical SMILES for N-benzyl-N-tert-butyl-3-phenylpropanamide is CC(C)(C)N(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-benzyl-N-tert-butyl-3-phenylpropanamide?
The InChIKey is WJDQWKPCOFPVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(2,3)21(16-18-12-8-5-9-13-18)19(22)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-3-phenylpropanamide?
N-benzyl-N-tert-butyl-3-phenylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-3-phenylpropanamide is sourced from PubChem (CID 1319993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).