N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide

C15H20N2O — CID 62679945

IUPACN-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
SMILESCCC(C)(C)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-15(2,3)14(18)17(12-8-11-16)13-9-6-5-7-10-13/h5-7,9-10H,4,8,12H2,1-3H3
InChIKeyYBETXEOZWRHOSN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.37
Rot. Bonds5

About N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide

N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide (PubChem CID 62679945) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
PubChem CID62679945
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
SMILESCCC(C)(C)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-15(2,3)14(18)17(12-8-11-16)13-9-6-5-7-10-13/h5-7,9-10H,4,8,12H2,1-3H3
InChIKeyYBETXEOZWRHOSN-UHFFFAOYSA-N
XLogP3.37
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-phenylpropanamide
CID 79797050
N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide
CID 76953544
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide (CID 62679945) is N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide is CCC(C)(C)C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide?
The InChIKey is YBETXEOZWRHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-15(2,3)14(18)17(12-8-11-16)13-9-6-5-7-10-13/h5-7,9-10H,4,8,12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide?
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide is sourced from PubChem (CID 62679945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).