N-(oxolan-2-ylmethyl)benzamide

C12H15NO2 — CID 2842558

IUPACN-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyPUWUDJOAVMKLBK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.60
Rot. Bonds3

About N-(oxolan-2-ylmethyl)benzamide

N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2842558) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)benzamide
PubChem CID2842558
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyPUWUDJOAVMKLBK-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.60
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)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)benzamide (CID 2842558) is N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is PUWUDJOAVMKLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-3,5-6,11H,4,7-9H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)benzamide?
N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2842558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).