2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide

C12H15N3O — CID 110470101

IUPAC2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
SMILESCN(C)Cc1ccccc1NC(=O)CC#N
InChIInChI=1S/C12H15N3O/c1-15(2)9-10-5-3-4-6-11(10)14-12(16)7-8-13/h3-6H,7,9H2,1-2H3,(H,14,16)
InChIKeyDNSFVLJMWKPICL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds4

About 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide

2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide (PubChem CID 110470101) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
PubChem CID110470101
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
SMILESCN(C)Cc1ccccc1NC(=O)CC#N
InChIInChI=1S/C12H15N3O/c1-15(2)9-10-5-3-4-6-11(10)14-12(16)7-8-13/h3-6H,7,9H2,1-2H3,(H,14,16)
InChIKeyDNSFVLJMWKPICL-UHFFFAOYSA-N
XLogP1.60
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
CID 168521728
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
N-[2-[(dimethylamino)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281335

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide (CID 110470101) is 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide is CN(C)Cc1ccccc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide?
The InChIKey is DNSFVLJMWKPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(2)9-10-5-3-4-6-11(10)14-12(16)7-8-13/h3-6H,7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide?
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 110470101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).