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

C14H19NO2 — CID 532826

IUPACN-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKeyVFWBIIGUCYAVDO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 532826) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-phenylpropanamide
PubChem CID532826
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKeyVFWBIIGUCYAVDO-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
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-phenylpropanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-phenylpropanamide (CID 532826) is N-(oxolan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is VFWBIIGUCYAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
N-(oxolan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.91, 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-phenylpropanamide is sourced from PubChem (CID 532826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).