2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide

C13H17N3O2 — CID 106788019

IUPAC2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C13H17N3O2/c1-15-13(17)9-16(2)8-10-4-5-11(7-14)12(6-10)18-3/h4-6H,8-9H2,1-3H3,(H,15,17)
InChIKeyOUPZYTZMTZLWHC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.74
Rot. Bonds5

About 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide

2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 106788019) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
PubChem CID106788019
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C13H17N3O2/c1-15-13(17)9-16(2)8-10-4-5-11(7-14)12(6-10)18-3/h4-6H,8-9H2,1-3H3,(H,15,17)
InChIKeyOUPZYTZMTZLWHC-UHFFFAOYSA-N
XLogP0.74
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 106788145
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 106792478
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
2-[(4-cyano-3-methoxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425994
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
CID 8694746
methyl 3-[(4-cyano-3-methoxyphenyl)methyl-ethylamino]propanoate
CID 106793293
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide (CID 106788019) is 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1ccc(C#N)c(OC)c1.
What is the InChIKey of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is OUPZYTZMTZLWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-13(17)9-16(2)8-10-4-5-11(7-14)12(6-10)18-3/h4-6H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 106788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).