2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide

C18H26N2O — CID 87031351

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-18(2,3)15-6-4-5-7-16(15)19-17(21)12-20-11-13-8-9-14(20)10-13/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)
InChIKeyYRFDXODEIQFHIK-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide (PubChem CID 87031351) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide
PubChem CID87031351
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-18(2,3)15-6-4-5-7-16(15)19-17(21)12-20-11-13-8-9-14(20)10-13/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)
InChIKeyYRFDXODEIQFHIK-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-2-[cyclopropyl(ethyl)amino]acetamide
CID 86928197
2-(azetidin-3-yl)-N-(2-tert-butylphenyl)acetamide
CID 64617575
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
N-(2-tert-butylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876023
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136967913
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 170635353
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide (CID 87031351) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide is CC(C)(C)c1ccccc1NC(=O)CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide?
The InChIKey is YRFDXODEIQFHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)15-6-4-5-7-16(15)19-17(21)12-20-11-13-8-9-14(20)10-13/h4-7,13-14H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide is sourced from PubChem (CID 87031351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).