N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide

C13H23NO — CID 145046191

IUPACN-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide
SMILESCCC(=O)NCC12CC(C(C)(C)C)(C1)C2
InChIInChI=1S/C13H23NO/c1-5-10(15)14-9-12-6-13(7-12,8-12)11(2,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyZTOJQZHIQDWNBA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds3

About N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide

N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide (PubChem CID 145046191) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide
PubChem CID145046191
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide
SMILESCCC(=O)NCC12CC(C(C)(C)C)(C1)C2
InChIInChI=1S/C13H23NO/c1-5-10(15)14-9-12-6-13(7-12,8-12)11(2,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyZTOJQZHIQDWNBA-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide?
The IUPAC name of N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide (CID 145046191) is N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide.
What is the SMILES notation for N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide?
The canonical SMILES for N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide is CCC(=O)NCC12CC(C(C)(C)C)(C1)C2.
What is the InChIKey of N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide?
The InChIKey is ZTOJQZHIQDWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-10(15)14-9-12-6-13(7-12,8-12)11(2,3)4/h5-9H2,1-4H3,(H,14,15).
What are the key properties of N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide?
N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide has a molecular weight of 209.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide is sourced from PubChem (CID 145046191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).