N-(2-tert-butylphenyl)formamide;ethane

C15H27NO — CID 143497447

IUPACN-(2-tert-butylphenyl)formamide;ethane
SMILESCC.CC.CC(C)(C)c1ccccc1NC=O
InChIInChI=1S/C11H15NO.2C2H6/c1-11(2,3)9-6-4-5-7-10(9)12-8-13;2*1-2/h4-8H,1-3H3,(H,12,13);2*1-2H3
InChIKeyBOTWJJFMGUAPKB-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.60
Rot. Bonds2

About N-(2-tert-butylphenyl)formamide;ethane

N-(2-tert-butylphenyl)formamide;ethane (PubChem CID 143497447) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)formamide;ethane.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)formamide;ethane
PubChem CID143497447
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(2-tert-butylphenyl)formamide;ethane
SMILESCC.CC.CC(C)(C)c1ccccc1NC=O
InChIInChI=1S/C11H15NO.2C2H6/c1-11(2,3)9-6-4-5-7-10(9)12-8-13;2*1-2/h4-8H,1-3H3,(H,12,13);2*1-2H3
InChIKeyBOTWJJFMGUAPKB-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-hydroxy-1-phenylethyl)phenyl]formamide
CID 13167683
N-[2-[2-(1-methylpyridin-1-ium-2-yl)propan-2-yl]phenyl]formamide
CID 86734322
N-(4-tert-butyl-3-formamidophenyl)formamide
CID 71620542
N-(4-acetyl-2-tert-butylphenyl)formamide
CID 168654495
(2-tert-butylphenyl)hydrazine;hydrazine
CID 158362001
N-(2-tert-butylphenyl)hydroxylamine;hydrochloride
CID 175259638
N-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
1-tert-butyl-2-(sulfinatoamino)benzene
CID 19910934
methyl 3-tert-butyl-4-formamidobenzoate
CID 168652003
N-(2-bromophenyl)formamide
CID 817914
N-[2-(2-methylpropylamino)phenyl]formamide
CID 168653320

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)formamide;ethane?
The IUPAC name of N-(2-tert-butylphenyl)formamide;ethane (CID 143497447) is N-(2-tert-butylphenyl)formamide;ethane.
What is the SMILES notation for N-(2-tert-butylphenyl)formamide;ethane?
The canonical SMILES for N-(2-tert-butylphenyl)formamide;ethane is CC.CC.CC(C)(C)c1ccccc1NC=O.
What is the InChIKey of N-(2-tert-butylphenyl)formamide;ethane?
The InChIKey is BOTWJJFMGUAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.2C2H6/c1-11(2,3)9-6-4-5-7-10(9)12-8-13;2*1-2/h4-8H,1-3H3,(H,12,13);2*1-2H3.
What are the key properties of N-(2-tert-butylphenyl)formamide;ethane?
N-(2-tert-butylphenyl)formamide;ethane has a molecular weight of 237.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)formamide;ethane is sourced from PubChem (CID 143497447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).