N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide

C15H20N2O — CID 115173025

IUPACN-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
SMILESCc1cc(C(C)(C)C)ccc1N(C)C(=O)CC#N
InChIInChI=1S/C15H20N2O/c1-11-10-12(15(2,3)4)6-7-13(11)17(5)14(18)8-9-16/h6-7,10H,8H2,1-5H3
InChIKeyUBMIHAQYFPREDA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.17
Rot. Bonds2

About N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide

N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide (PubChem CID 115173025) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
PubChem CID115173025
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
SMILESCc1cc(C(C)(C)C)ccc1N(C)C(=O)CC#N
InChIInChI=1S/C15H20N2O/c1-11-10-12(15(2,3)4)6-7-13(11)17(5)14(18)8-9-16/h6-7,10H,8H2,1-5H3
InChIKeyUBMIHAQYFPREDA-UHFFFAOYSA-N
XLogP3.17
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173683
N-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
CID 115173052
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
N-[(4-tert-butyl-2-methylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172381
4-tert-butyl-N-(cyanomethyl)-2-methylbenzamide
CID 82474476
2-(4-tert-butyl-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82478649
N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199944

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide?
The IUPAC name of N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide (CID 115173025) is N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide.
What is the SMILES notation for N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide?
The canonical SMILES for N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide is Cc1cc(C(C)(C)C)ccc1N(C)C(=O)CC#N.
What is the InChIKey of N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide?
The InChIKey is UBMIHAQYFPREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-12(15(2,3)4)6-7-13(11)17(5)14(18)8-9-16/h6-7,10H,8H2,1-5H3.
What are the key properties of N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide?
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide has a molecular weight of 244.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide is sourced from PubChem (CID 115173025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).