2-[(2-methyloxolan-2-yl)methyl]benzamide

C13H17NO2 — CID 162688650

IUPAC2-[(2-methyloxolan-2-yl)methyl]benzamide
SMILESCC1(Cc2ccccc2C(N)=O)CCCO1
InChIInChI=1S/C13H17NO2/c1-13(7-4-8-16-13)9-10-5-2-3-6-11(10)12(14)15/h2-3,5-6H,4,7-9H2,1H3,(H2,14,15)
InChIKeyAHVRKLJUESYRSN-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2-methyloxolan-2-yl)methyl]benzamide

2-[(2-methyloxolan-2-yl)methyl]benzamide (PubChem CID 162688650) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(2-methyloxolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-methyloxolan-2-yl)methyl]benzamide
PubChem CID162688650
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[(2-methyloxolan-2-yl)methyl]benzamide
SMILESCC1(Cc2ccccc2C(N)=O)CCCO1
InChIInChI=1S/C13H17NO2/c1-13(7-4-8-16-13)9-10-5-2-3-6-11(10)12(14)15/h2-3,5-6H,4,7-9H2,1H3,(H2,14,15)
InChIKeyAHVRKLJUESYRSN-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 162688696
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
CID 105475556
2-amino-3-[(2-methyloxolan-2-yl)methylamino]benzoic acid
CID 115546585
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
CID 107408094
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
CID 114952943
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
CID 65120899
2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
CID 70569993
(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate
CID 71967388
2-butylbenzamide
CID 15468173
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-(3-chloropropyl)benzamide
CID 135741565

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-2-yl)methyl]benzamide?
The IUPAC name of 2-[(2-methyloxolan-2-yl)methyl]benzamide (CID 162688650) is 2-[(2-methyloxolan-2-yl)methyl]benzamide.
What is the SMILES notation for 2-[(2-methyloxolan-2-yl)methyl]benzamide?
The canonical SMILES for 2-[(2-methyloxolan-2-yl)methyl]benzamide is CC1(Cc2ccccc2C(N)=O)CCCO1.
What is the InChIKey of 2-[(2-methyloxolan-2-yl)methyl]benzamide?
The InChIKey is AHVRKLJUESYRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(7-4-8-16-13)9-10-5-2-3-6-11(10)12(14)15/h2-3,5-6H,4,7-9H2,1H3,(H2,14,15).
What are the key properties of 2-[(2-methyloxolan-2-yl)methyl]benzamide?
2-[(2-methyloxolan-2-yl)methyl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-2-yl)methyl]benzamide is sourced from PubChem (CID 162688650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).