2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide

C16H22N2O — CID 115188310

IUPAC2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H22N2O/c1-5-13(9-17)16(19)18-10-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13H,5,10H2,1-4H3,(H,18,19)
InChIKeyQWEAQABMAIEZTR-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.28
Rot. Bonds5

About 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide

2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide (PubChem CID 115188310) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
PubChem CID115188310
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H22N2O/c1-5-13(9-17)16(19)18-10-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13H,5,10H2,1-4H3,(H,18,19)
InChIKeyQWEAQABMAIEZTR-UHFFFAOYSA-N
XLogP3.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
CID 115188135
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
CID 112510646
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
4-[(2-methyl-5-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231720
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 110784198
N-(1-benzothiophen-3-ylmethyl)-2-cyanobutanamide
CID 115188332

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The IUPAC name of 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide (CID 115188310) is 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The canonical SMILES for 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide is CCC(C#N)C(=O)NCc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The InChIKey is QWEAQABMAIEZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-13(9-17)16(19)18-10-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13H,5,10H2,1-4H3,(H,18,19).
What are the key properties of 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide has a molecular weight of 258.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide is sourced from PubChem (CID 115188310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).