N-(oxolan-2-ylmethyl)-3-phenylbutanamide

C15H21NO2 — CID 2914304

IUPACN-(oxolan-2-ylmethyl)-3-phenylbutanamide
SMILESCC(CC(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)10-15(17)16-11-14-8-5-9-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)
InChIKeyQJWRRTGGLJRYAZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-3-phenylbutanamide

N-(oxolan-2-ylmethyl)-3-phenylbutanamide (PubChem CID 2914304) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-phenylbutanamide
PubChem CID2914304
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(oxolan-2-ylmethyl)-3-phenylbutanamide
SMILESCC(CC(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)10-15(17)16-11-14-8-5-9-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)
InChIKeyQJWRRTGGLJRYAZ-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-phenylbutanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-phenylbutanamide (CID 2914304) is N-(oxolan-2-ylmethyl)-3-phenylbutanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-phenylbutanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-phenylbutanamide is CC(CC(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-phenylbutanamide?
The InChIKey is QJWRRTGGLJRYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)10-15(17)16-11-14-8-5-9-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17).
What are the key properties of N-(oxolan-2-ylmethyl)-3-phenylbutanamide?
N-(oxolan-2-ylmethyl)-3-phenylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-phenylbutanamide is sourced from PubChem (CID 2914304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).