2,2-dicyano-N,N-dimethyl-2-phenylacetamide

C12H11N3O — CID 19919955

IUPAC2,2-dicyano-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(C#N)(C#N)c1ccccc1
InChIInChI=1S/C12H11N3O/c1-15(2)11(16)12(8-13,9-14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyOTPPMYWQYSVEOR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.06
Rot. Bonds2

About 2,2-dicyano-N,N-dimethyl-2-phenylacetamide

2,2-dicyano-N,N-dimethyl-2-phenylacetamide (PubChem CID 19919955) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,2-dicyano-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2,2-dicyano-N,N-dimethyl-2-phenylacetamide
PubChem CID19919955
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2,2-dicyano-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(C#N)(C#N)c1ccccc1
InChIInChI=1S/C12H11N3O/c1-15(2)11(16)12(8-13,9-14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyOTPPMYWQYSVEOR-UHFFFAOYSA-N
XLogP1.06
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
CID 101017152
Se-methyl 2-cyano-2-phenylpropaneselenoate
CID 15778728
2-cyano-3,3-diethyl-2-phenylbutanedioic acid
CID 54145473
2-acetyl-2-phenylpentanenitrile
CID 66432570
methyl (2S)-2-cyano-2-phenylbutanoate
CID 12851218
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide
CID 61224496
ethyl 3-cyano-2-hydroxy-2-phenylbut-3-enoate
CID 3640925
(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide
CID 101165082

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyano-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2,2-dicyano-N,N-dimethyl-2-phenylacetamide (CID 19919955) is 2,2-dicyano-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2,2-dicyano-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2,2-dicyano-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(C#N)(C#N)c1ccccc1.
What is the InChIKey of 2,2-dicyano-N,N-dimethyl-2-phenylacetamide?
The InChIKey is OTPPMYWQYSVEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-15(2)11(16)12(8-13,9-14)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 2,2-dicyano-N,N-dimethyl-2-phenylacetamide?
2,2-dicyano-N,N-dimethyl-2-phenylacetamide has a molecular weight of 213.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyano-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 19919955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).