3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide

C14H20N2O2 — CID 47179453

IUPAC3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCOC2)c1
InChIInChI=1S/C14H20N2O2/c1-16(2)13-5-3-4-12(8-13)14(17)15-9-11-6-7-18-10-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyMSDUPQANOMDOPL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds4

About 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide

3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 47179453) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
PubChem CID47179453
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCOC2)c1
InChIInChI=1S/C14H20N2O2/c1-16(2)13-5-3-4-12(8-13)14(17)15-9-11-6-7-18-10-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyMSDUPQANOMDOPL-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide
CID 144994040
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3-(dimethylamino)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110741562
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide (CID 47179453) is 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide is CN(C)c1cccc(C(=O)NCC2CCOC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is MSDUPQANOMDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)13-5-3-4-12(8-13)14(17)15-9-11-6-7-18-10-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide?
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 47179453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).