N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide

C25H25NO — CID 55549162

IUPACN-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C25H25NO/c27-25(26(23-16-17-23)19-20-10-4-1-5-11-20)18-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
InChIKeyHVDOOLRWAIQMFM-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.40
Rot. Bonds7

About N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide

N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide (PubChem CID 55549162) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
PubChem CID55549162
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC NameN-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C25H25NO/c27-25(26(23-16-17-23)19-20-10-4-1-5-11-20)18-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
InChIKeyHVDOOLRWAIQMFM-UHFFFAOYSA-N
XLogP5.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide (CID 55549162) is N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide?
The InChIKey is HVDOOLRWAIQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c27-25(26(23-16-17-23)19-20-10-4-1-5-11-20)18-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2.
What are the key properties of N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide?
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide has a molecular weight of 355.48 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide is sourced from PubChem (CID 55549162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).