2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide

C16H21N3O2 — CID 63099208

IUPAC2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOCC1)Cc1cccc(C#N)c1
InChIInChI=1S/C16H21N3O2/c1-19(11-14-4-2-3-13(9-14)10-17)12-16(20)18-15-5-7-21-8-6-15/h2-4,9,15H,5-8,11-12H2,1H3,(H,18,20)
InChIKeyWWBBUEOSTVURFO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.29
Rot. Bonds5

About 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide

2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63099208) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
PubChem CID63099208
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOCC1)Cc1cccc(C#N)c1
InChIInChI=1S/C16H21N3O2/c1-19(11-14-4-2-3-13(9-14)10-17)12-16(20)18-15-5-7-21-8-6-15/h2-4,9,15H,5-8,11-12H2,1H3,(H,18,20)
InChIKeyWWBBUEOSTVURFO-UHFFFAOYSA-N
XLogP1.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 62982745
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 55628481
(E)-4-[(3-cyanophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 55237302
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)acetamide
CID 8745698
3-[[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]methyl]benzonitrile
CID 62981347

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide (CID 63099208) is 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide is CN(CC(=O)NC1CCOCC1)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is WWBBUEOSTVURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(11-14-4-2-3-13(9-14)10-17)12-16(20)18-15-5-7-21-8-6-15/h2-4,9,15H,5-8,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide?
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).