N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide

C15H19NO2 — CID 158433949

IUPACN-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)N[C@H]1CCC1=O
InChIInChI=1S/C15H19NO2/c17-14-11-10-13(14)16-15(18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,18)/t13-/m0/s1
InChIKeyHBZOBKZRWYYRBI-ZDUSSCGKSA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds6

About N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide

N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide (PubChem CID 158433949) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
PubChem CID158433949
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)N[C@H]1CCC1=O
InChIInChI=1S/C15H19NO2/c17-14-11-10-13(14)16-15(18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,18)/t13-/m0/s1
InChIKeyHBZOBKZRWYYRBI-ZDUSSCGKSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 25258810
N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
CID 86273754
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
(2S,4S)-5-oxo-4-(4-phenylbutanoylamino)pyrrolidine-2-carboxylic acid
CID 102273253
cis-(2R,4S)-4-hydroxy-2-(9-phenylnonanoyl)cyclohexane-1,3-dione
CID 95223200
N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
CID 115880624
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
CID 133265817
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-methyl-9-phenylnonanamide
CID 118028570
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
N-(2-bromocyclopentyl)-4-phenylbutanamide
CID 80663026

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide?
The IUPAC name of N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide (CID 158433949) is N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide.
What is the SMILES notation for N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide?
The canonical SMILES for N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)N[C@H]1CCC1=O.
What is the InChIKey of N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide?
The InChIKey is HBZOBKZRWYYRBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-11-10-13(14)16-15(18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide?
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide has a molecular weight of 245.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide is sourced from PubChem (CID 158433949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).