2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide

C16H24N2O2 — CID 94216554

IUPAC2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1CCCCO1)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-7-3-2-4-8-14)13-16(19)17-11-15-9-5-6-10-20-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyJMASOXFOBGMGQH-OAHLLOKOSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide

2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide (PubChem CID 94216554) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
PubChem CID94216554
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1CCCCO1)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-7-3-2-4-8-14)13-16(19)17-11-15-9-5-6-10-20-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyJMASOXFOBGMGQH-OAHLLOKOSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124758787
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
1-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139835

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide (CID 94216554) is 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide is CN(CC(=O)NC[C@H]1CCCCO1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The InChIKey is JMASOXFOBGMGQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-14-7-3-2-4-8-14)13-16(19)17-11-15-9-5-6-10-20-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide?
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 94216554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).