N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide

C13H16N2O2 — CID 115171825

IUPACN-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C#N
InChIInChI=1S/C13H16N2O2/c1-13(2,3)9-5-6-11(17-4)10(7-9)15-12(16)8-14/h5-7H,1-4H3,(H,15,16)
InChIKeyBVORQRAMJHSQIF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds2

About N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide

N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide (PubChem CID 115171825) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
PubChem CID115171825
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C#N
InChIInChI=1S/C13H16N2O2/c1-13(2,3)9-5-6-11(17-4)10(7-9)15-12(16)8-14/h5-7H,1-4H3,(H,15,16)
InChIKeyBVORQRAMJHSQIF-UHFFFAOYSA-N
XLogP2.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
N-(4-tert-butyl-2-methylphenyl)-1-cyanoformamide
CID 115171897
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 18270916
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide (CID 115171825) is N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide is COc1ccc(C(C)(C)C)cc1NC(=O)C#N.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide?
The InChIKey is BVORQRAMJHSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)9-5-6-11(17-4)10(7-9)15-12(16)8-14/h5-7H,1-4H3,(H,15,16).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide?
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide has a molecular weight of 232.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide is sourced from PubChem (CID 115171825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).