N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide

C17H25NO — CID 115880624

IUPACN-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
SMILESCC1(C)CCC(NC(=O)CCCc2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-17(2)12-11-15(13-17)18-16(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,19)
InChIKeyCRXQNRCHIAOEKJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.70
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide

N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide (PubChem CID 115880624) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
PubChem CID115880624
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
SMILESCC1(C)CCC(NC(=O)CCCc2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-17(2)12-11-15(13-17)18-16(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,19)
InChIKeyCRXQNRCHIAOEKJ-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide (CID 115880624) is N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide is CC1(C)CCC(NC(=O)CCCc2ccccc2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide?
The InChIKey is CRXQNRCHIAOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)12-11-15(13-17)18-16(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide?
N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide has a molecular weight of 259.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide is sourced from PubChem (CID 115880624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).