N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide

C22H25NO — CID 166063906

IUPACN-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1C1=C(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C22H25NO/c1-15(2)21(24)23-19-13-9-8-12-17(19)18-14-22(3,4)20(18)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3,(H,23,24)
InChIKeyAOJSGKYQCUCXRU-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.62
Rot. Bonds4

About N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide

N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide (PubChem CID 166063906) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide
PubChem CID166063906
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1C1=C(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C22H25NO/c1-15(2)21(24)23-19-13-9-8-12-17(19)18-14-22(3,4)20(18)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3,(H,23,24)
InChIKeyAOJSGKYQCUCXRU-UHFFFAOYSA-N
XLogP5.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide (CID 166063906) is N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccccc1C1=C(c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide?
The InChIKey is AOJSGKYQCUCXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-15(2)21(24)23-19-13-9-8-12-17(19)18-14-22(3,4)20(18)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide?
N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 166063906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).