2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide

C13H17N3O2 — CID 62982745

IUPAC2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
SMILESCN(CC(=O)NCCO)Cc1cccc(C#N)c1
InChIInChI=1S/C13H17N3O2/c1-16(10-13(18)15-5-6-17)9-12-4-2-3-11(7-12)8-14/h2-4,7,17H,5-6,9-10H2,1H3,(H,15,18)
InChIKeyRRZPZXOKLJKDCJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.10
Rot. Bonds6

About 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide

2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide (PubChem CID 62982745) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
PubChem CID62982745
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
SMILESCN(CC(=O)NCCO)Cc1cccc(C#N)c1
InChIInChI=1S/C13H17N3O2/c1-16(10-13(18)15-5-6-17)9-12-4-2-3-11(7-12)8-14/h2-4,7,17H,5-6,9-10H2,1H3,(H,15,18)
InChIKeyRRZPZXOKLJKDCJ-UHFFFAOYSA-N
XLogP0.10
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
2-[(3-cyanophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86931104
(E)-4-[(3-cyanophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 55237302
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
N-(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18124279
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819
3-[[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]methyl]benzonitrile
CID 62981347
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide (CID 62982745) is 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide is CN(CC(=O)NCCO)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide?
The InChIKey is RRZPZXOKLJKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(10-13(18)15-5-6-17)9-12-4-2-3-11(7-12)8-14/h2-4,7,17H,5-6,9-10H2,1H3,(H,15,18).
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide?
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 62982745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).