2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide

C15H20N2O — CID 115174921

IUPAC2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(NC(=O)C(C)(C)C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)9-12-5-7-13(8-6-12)17-14(18)15(3,4)10-16/h5-8,11H,9H2,1-4H3,(H,17,18)
InChIKeyLKHHGJFCTBJBTI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.37
Rot. Bonds4

About 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide

2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 115174921) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID115174921
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(NC(=O)C(C)(C)C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)9-12-5-7-13(8-6-12)17-14(18)15(3,4)10-16/h5-8,11H,9H2,1-4H3,(H,17,18)
InChIKeyLKHHGJFCTBJBTI-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
CID 115188500
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967
methyl 2-[4-(2-methylpropyl)anilino]-2-oxoacetate
CID 115142143
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
CID 82259470
2-[4-(2-methylpropyl)anilino]acetamide
CID 96671110

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide (CID 115174921) is 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(NC(=O)C(C)(C)C#N)cc1.
What is the InChIKey of 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is LKHHGJFCTBJBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)9-12-5-7-13(8-6-12)17-14(18)15(3,4)10-16/h5-8,11H,9H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide?
2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 244.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 115174921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).