2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide

C12H15N3O — CID 43216435

IUPAC2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccccc1C#N
InChIInChI=1S/C12H15N3O/c1-14-12(16)9-15(2)8-11-6-4-3-5-10(11)7-13/h3-6H,8-9H2,1-2H3,(H,14,16)
InChIKeyMCYFGRQKQRYQDC-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.74
Rot. Bonds4

About 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide

2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 43216435) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
PubChem CID43216435
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccccc1C#N
InChIInChI=1S/C12H15N3O/c1-14-12(16)9-15(2)8-11-6-4-3-5-10(11)7-13/h3-6H,8-9H2,1-2H3,(H,14,16)
InChIKeyMCYFGRQKQRYQDC-UHFFFAOYSA-N
XLogP0.74
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099
3-[(3-cyano-2-fluorophenyl)methyl-methylamino]propanoic acid
CID 107118782
2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide
CID 62183803
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide (CID 43216435) is 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is MCYFGRQKQRYQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14-12(16)9-15(2)8-11-6-4-3-5-10(11)7-13/h3-6H,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide?
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 217.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43216435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).