2-[(3-cyanophenyl)methylamino]-N-methylacetamide

C11H13N3O — CID 43214956

IUPAC2-[(3-cyanophenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cccc(C#N)c1
InChIInChI=1S/C11H13N3O/c1-13-11(15)8-14-7-10-4-2-3-9(5-10)6-12/h2-5,14H,7-8H2,1H3,(H,13,15)
InChIKeyPGWAQDFMGUQIQJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds4

About 2-[(3-cyanophenyl)methylamino]-N-methylacetamide

2-[(3-cyanophenyl)methylamino]-N-methylacetamide (PubChem CID 43214956) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methylamino]-N-methylacetamide
PubChem CID43214956
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-[(3-cyanophenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cccc(C#N)c1
InChIInChI=1S/C11H13N3O/c1-13-11(15)8-14-7-10-4-2-3-9(5-10)6-12/h2-5,14H,7-8H2,1H3,(H,13,15)
InChIKeyPGWAQDFMGUQIQJ-UHFFFAOYSA-N
XLogP0.39
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
CID 60919142
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
3-[(3-cyanophenyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623839
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
methyl 4-[[(3-cyanophenyl)methylamino]methyl]benzoate
CID 60685712
4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
CID 43231738
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
N-[(3-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847791

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-cyanophenyl)methylamino]-N-methylacetamide (CID 43214956) is 2-[(3-cyanophenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methylamino]-N-methylacetamide is CNC(=O)CNCc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methylamino]-N-methylacetamide?
The InChIKey is PGWAQDFMGUQIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-11(15)8-14-7-10-4-2-3-9(5-10)6-12/h2-5,14H,7-8H2,1H3,(H,13,15).
What are the key properties of 2-[(3-cyanophenyl)methylamino]-N-methylacetamide?
2-[(3-cyanophenyl)methylamino]-N-methylacetamide has a molecular weight of 203.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 43214956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).