N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide

C16H21N3O2 — CID 102655924

IUPACN-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCN(Cc1ccccc1C#N)C(=O)COC1(C)CNC1
InChIInChI=1S/C16H21N3O2/c1-3-19(9-14-7-5-4-6-13(14)8-17)15(20)10-21-16(2)11-18-12-16/h4-7,18H,3,9-12H2,1-2H3
InChIKeyRRLDMRBCHQPOBH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.29
Rot. Bonds6

About N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102655924) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102655924
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCN(Cc1ccccc1C#N)C(=O)COC1(C)CNC1
InChIInChI=1S/C16H21N3O2/c1-3-19(9-14-7-5-4-6-13(14)8-17)15(20)10-21-16(2)11-18-12-16/h4-7,18H,3,9-12H2,1-2H3
InChIKeyRRLDMRBCHQPOBH-UHFFFAOYSA-N
XLogP1.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79264374
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655879
N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 47355649
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435356

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102655924) is N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide is CCN(Cc1ccccc1C#N)C(=O)COC1(C)CNC1.
What is the InChIKey of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is RRLDMRBCHQPOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19(9-14-7-5-4-6-13(14)8-17)15(20)10-21-16(2)11-18-12-16/h4-7,18H,3,9-12H2,1-2H3.
What are the key properties of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102655924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).