3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

C17H25N3O — CID 86916563

IUPAC3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C17H25N3O/c1-17(2,13-20(3)4)12-19-16(21)10-9-14-5-7-15(11-18)8-6-14/h5-8H,9-10,12-13H2,1-4H3,(H,19,21)
InChIKeyVFYPYQZWADTDSK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.19
Rot. Bonds7

About 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (PubChem CID 86916563) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
PubChem CID86916563
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C17H25N3O/c1-17(2,13-20(3)4)12-19-16(21)10-9-14-5-7-15(11-18)8-6-14/h5-8H,9-10,12-13H2,1-4H3,(H,19,21)
InChIKeyVFYPYQZWADTDSK-UHFFFAOYSA-N
XLogP2.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 78848142
N-[2-[3-(4-cyanophenyl)propanoylamino]ethyl]-2-methylpropanamide
CID 33121519
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458653
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide
CID 32767690
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide
CID 166280382
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (CID 86916563) is 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is CN(C)CC(C)(C)CNC(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The InChIKey is VFYPYQZWADTDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,13-20(3)4)12-19-16(21)10-9-14-5-7-15(11-18)8-6-14/h5-8H,9-10,12-13H2,1-4H3,(H,19,21).
What are the key properties of 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 86916563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).