4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide

C13H18N2O2 — CID 82725520

IUPAC4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H18N2O2/c1-9-12(6-7-17-9)15-13(16)11-4-2-10(8-14)3-5-11/h2-5,9,12H,6-8,14H2,1H3,(H,15,16)
InChIKeyCJEHCXFYSWUKKF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.05
Rot. Bonds3

About 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide

4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82725520) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82725520
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H18N2O2/c1-9-12(6-7-17-9)15-13(16)11-4-2-10(8-14)3-5-11/h2-5,9,12H,6-8,14H2,1H3,(H,15,16)
InChIKeyCJEHCXFYSWUKKF-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82726478
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide (CID 82725520) is 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is CJEHCXFYSWUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-12(6-7-17-9)15-13(16)11-4-2-10(8-14)3-5-11/h2-5,9,12H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide?
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82725520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).