N-(oxolan-2-ylmethyl)-4-phenylbenzamide

C18H19NO2 — CID 2788416

IUPACN-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c20-18(19-13-17-7-4-12-21-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,19,20)
InChIKeyAKJIOGCTLJTWIO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.26
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-phenylbenzamide

N-(oxolan-2-ylmethyl)-4-phenylbenzamide (PubChem CID 2788416) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-phenylbenzamide
PubChem CID2788416
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c20-18(19-13-17-7-4-12-21-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,19,20)
InChIKeyAKJIOGCTLJTWIO-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.26
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)-4-phenylbenzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-phenylbenzamide (CID 2788416) is N-(oxolan-2-ylmethyl)-4-phenylbenzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-phenylbenzamide is O=C(NCC1CCCO1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The InChIKey is AKJIOGCTLJTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-13-17-7-4-12-21-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
N-(oxolan-2-ylmethyl)-4-phenylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.26, 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)-4-phenylbenzamide is sourced from PubChem (CID 2788416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).