2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide

C13H17N3O2 — CID 168522124

IUPAC2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide
SMILESCN(CCO)Cc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C13H17N3O2/c1-16(7-8-17)10-11-3-2-4-12(9-11)15-13(18)5-6-14/h2-4,9,17H,5,7-8,10H2,1H3,(H,15,18)
InChIKeyLNUUQQPTKBTTST-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.96
Rot. Bonds6

About 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide

2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide (PubChem CID 168522124) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide
PubChem CID168522124
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide
SMILESCN(CCO)Cc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C13H17N3O2/c1-16(7-8-17)10-11-3-2-4-12(9-11)15-13(18)5-6-14/h2-4,9,17H,5,7-8,10H2,1H3,(H,15,18)
InChIKeyLNUUQQPTKBTTST-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[2-hydroxyethyl(methyl)amino]methyl]anilino]ethene-1,1,2-tricarbonitrile
CID 168608465
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808
N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
CID 50949015

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide (CID 168522124) is 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide is CN(CCO)Cc1cccc(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide?
The InChIKey is LNUUQQPTKBTTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(7-8-17)10-11-3-2-4-12(9-11)15-13(18)5-6-14/h2-4,9,17H,5,7-8,10H2,1H3,(H,15,18).
What are the key properties of 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide?
2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 168522124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).