N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide

C15H20N2O — CID 54990418

IUPACN-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
SMILESCC(C#N)CN(C)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-12(10-16)11-17(4)14(18)15(2,3)13-8-6-5-7-9-13/h5-9,12H,11H2,1-4H3
InChIKeyBKRAQDKKWKNCQA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds4

About N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide

N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide (PubChem CID 54990418) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
PubChem CID54990418
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
SMILESCC(C#N)CN(C)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-12(10-16)11-17(4)14(18)15(2,3)13-8-6-5-7-9-13/h5-9,12H,11H2,1-4H3
InChIKeyBKRAQDKKWKNCQA-UHFFFAOYSA-N
XLogP2.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
3-[2-cyanopropyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820621
2-bromo-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 114328285
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228626
2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79805675
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117767
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
2-[2-[[[2-cyanopropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81311145
2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119228005
N,2-dimethyl-2-phenyl-N-silylpropanamide
CID 173360182

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide?
The IUPAC name of N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide (CID 54990418) is N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide?
The canonical SMILES for N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide is CC(C#N)CN(C)C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide?
The InChIKey is BKRAQDKKWKNCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(10-16)11-17(4)14(18)15(2,3)13-8-6-5-7-9-13/h5-9,12H,11H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide?
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide is sourced from PubChem (CID 54990418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).