2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide

C14H19N3O2 — CID 107843173

IUPAC2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cccc(OCC#N)c1
InChIInChI=1S/C14H19N3O2/c1-3-17(2)14(18)11-16-10-12-5-4-6-13(9-12)19-8-7-15/h4-6,9,16H,3,8,10-11H2,1-2H3
InChIKeyLXSBJHZMXNUHLD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.16
Rot. Bonds7

About 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide

2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide (PubChem CID 107843173) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide
PubChem CID107843173
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cccc(OCC#N)c1
InChIInChI=1S/C14H19N3O2/c1-3-17(2)14(18)11-16-10-12-5-4-6-13(9-12)19-8-7-15/h4-6,9,16H,3,8,10-11H2,1-2H3
InChIKeyLXSBJHZMXNUHLD-UHFFFAOYSA-N
XLogP1.16
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
4-[[3-(cyanomethoxy)phenyl]methylamino]butanoic acid
CID 54920383
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
2-[(3,5-dimethoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923347
2-[3-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]phenoxy]acetonitrile
CID 66169023
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
2-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508
2-[3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenoxy]acetonitrile
CID 107865037
2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764488
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide (CID 107843173) is 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1cccc(OCC#N)c1.
What is the InChIKey of 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is LXSBJHZMXNUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-17(2)14(18)11-16-10-12-5-4-6-13(9-12)19-8-7-15/h4-6,9,16H,3,8,10-11H2,1-2H3.
What are the key properties of 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide?
2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyanomethoxy)phenyl]methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107843173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).