N-(oxolan-2-ylmethyl)-2-phenylacetamide

C13H17NO2 — CID 531986

IUPACN-(oxolan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C13H17NO2/c15-13(9-11-5-2-1-3-6-11)14-10-12-7-4-8-16-12/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyGLRRFYMIFNCWSD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.52
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-phenylacetamide

N-(oxolan-2-ylmethyl)-2-phenylacetamide (PubChem CID 531986) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenylacetamide
PubChem CID531986
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C13H17NO2/c15-13(9-11-5-2-1-3-6-11)14-10-12-7-4-8-16-12/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyGLRRFYMIFNCWSD-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.52
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)-2-phenylacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylacetamide (CID 531986) is N-(oxolan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is GLRRFYMIFNCWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(9-11-5-2-1-3-6-11)14-10-12-7-4-8-16-12/h1-3,5-6,12H,4,7-10H2,(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenylacetamide?
N-(oxolan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 219.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 531986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).