2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C13H18N4O — CID 54892385

IUPAC2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNC(C(N)=O)c1cccc(C#N)c1
InChIInChI=1S/C13H18N4O/c1-17(2)7-6-16-12(13(15)18)11-5-3-4-10(8-11)9-14/h3-5,8,12,16H,6-7H2,1-2H3,(H2,15,18)
InChIKeyTXYBIKJWHDDTKL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.24
Rot. Bonds6

About 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide

2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 54892385) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID54892385
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNC(C(N)=O)c1cccc(C#N)c1
InChIInChI=1S/C13H18N4O/c1-17(2)7-6-16-12(13(15)18)11-5-3-4-10(8-11)9-14/h3-5,8,12,16H,6-7H2,1-2H3,(H2,15,18)
InChIKeyTXYBIKJWHDDTKL-UHFFFAOYSA-N
XLogP0.24
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(3-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 61005173
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
CID 63076271
2-[1-(3-cyanophenyl)ethylamino]ethylurea
CID 83110158
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-(2-chloroanilino)-2-(3-cyanophenyl)acetamide
CID 61006310
3-[2-[1-(3-cyanophenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116828

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 54892385) is 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide is CN(C)CCNC(C(N)=O)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is TXYBIKJWHDDTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)7-6-16-12(13(15)18)11-5-3-4-10(8-11)9-14/h3-5,8,12,16H,6-7H2,1-2H3,(H2,15,18).
What are the key properties of 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 54892385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).