3-[(oxolan-3-ylamino)methyl]benzamide

C12H16N2O2 — CID 63332008

IUPAC3-[(oxolan-3-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCOC2)c1
InChIInChI=1S/C12H16N2O2/c13-12(15)10-3-1-2-9(6-10)7-14-11-4-5-16-8-11/h1-3,6,11,14H,4-5,7-8H2,(H2,13,15)
InChIKeyHMMHJFBVABSXMW-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.66
Rot. Bonds4

About 3-[(oxolan-3-ylamino)methyl]benzamide

3-[(oxolan-3-ylamino)methyl]benzamide (PubChem CID 63332008) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(oxolan-3-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(oxolan-3-ylamino)methyl]benzamide
PubChem CID63332008
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[(oxolan-3-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCOC2)c1
InChIInChI=1S/C12H16N2O2/c13-12(15)10-3-1-2-9(6-10)7-14-11-4-5-16-8-11/h1-3,6,11,14H,4-5,7-8H2,(H2,13,15)
InChIKeyHMMHJFBVABSXMW-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-3-[(oxolan-3-ylamino)methyl]benzenecarboximidamide
CID 80713948
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide
CID 113415251
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760

Frequently Asked Questions

What is the IUPAC name of 3-[(oxolan-3-ylamino)methyl]benzamide?
The IUPAC name of 3-[(oxolan-3-ylamino)methyl]benzamide (CID 63332008) is 3-[(oxolan-3-ylamino)methyl]benzamide.
What is the SMILES notation for 3-[(oxolan-3-ylamino)methyl]benzamide?
The canonical SMILES for 3-[(oxolan-3-ylamino)methyl]benzamide is NC(=O)c1cccc(CNC2CCOC2)c1.
What is the InChIKey of 3-[(oxolan-3-ylamino)methyl]benzamide?
The InChIKey is HMMHJFBVABSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(15)10-3-1-2-9(6-10)7-14-11-4-5-16-8-11/h1-3,6,11,14H,4-5,7-8H2,(H2,13,15).
What are the key properties of 3-[(oxolan-3-ylamino)methyl]benzamide?
3-[(oxolan-3-ylamino)methyl]benzamide has a molecular weight of 220.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(oxolan-3-ylamino)methyl]benzamide is sourced from PubChem (CID 63332008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).