N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide

C16H23N3O — CID 51105466

IUPACN-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide
SMILESCN(C(=O)CNC(C)(C)c1ccccc1)C(C)(C)C#N
InChIInChI=1S/C16H23N3O/c1-15(2,12-17)19(5)14(20)11-18-16(3,4)13-9-7-6-8-10-13/h6-10,18H,11H2,1-5H3
InChIKeyUIPNUPMOZQIXLZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.27
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide

N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide (PubChem CID 51105466) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide
PubChem CID51105466
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide
SMILESCN(C(=O)CNC(C)(C)c1ccccc1)C(C)(C)C#N
InChIInChI=1S/C16H23N3O/c1-15(2,12-17)19(5)14(20)11-18-16(3,4)13-9-7-6-8-10-13/h6-10,18H,11H2,1-5H3
InChIKeyUIPNUPMOZQIXLZ-UHFFFAOYSA-N
XLogP2.27
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-1-[2-(2-phenylpropan-2-ylamino)acetyl]pyrrolidine-2,5-dicarbonitrile;hydrochloride
CID 11667115
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 8636918
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
CID 82127029
methyl (2S)-3-[benzyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94822704
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 8692613
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
CID 113234324
butanedioic acid;bis(2-phenyl-N-prop-2-enylpropan-2-amine)
CID 173249762
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8879553
2,2-dicyano-N,N-dimethyl-2-phenylacetamide
CID 19919955
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8846807

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide (CID 51105466) is N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide is CN(C(=O)CNC(C)(C)c1ccccc1)C(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide?
The InChIKey is UIPNUPMOZQIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-15(2,12-17)19(5)14(20)11-18-16(3,4)13-9-7-6-8-10-13/h6-10,18H,11H2,1-5H3.
What are the key properties of N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide?
N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-N-methyl-2-(2-phenylpropan-2-ylamino)acetamide is sourced from PubChem (CID 51105466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).