N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide

C12H22N2O2 — CID 80719337

IUPACN-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
SMILESCCCCNC(=O)CNC1CC2CCC1O2
InChIInChI=1S/C12H22N2O2/c1-2-3-6-13-12(15)8-14-10-7-9-4-5-11(10)16-9/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyFJDHYVWAZKMVMW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds6

About N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide

N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide (PubChem CID 80719337) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
PubChem CID80719337
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
SMILESCCCCNC(=O)CNC1CC2CCC1O2
InChIInChI=1S/C12H22N2O2/c1-2-3-6-13-12(15)8-14-10-7-9-4-5-11(10)16-9/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyFJDHYVWAZKMVMW-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 80721149
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CID 113480886
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CID 120350108

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The IUPAC name of N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide (CID 80719337) is N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide.
What is the SMILES notation for N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The canonical SMILES for N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide is CCCCNC(=O)CNC1CC2CCC1O2.
What is the InChIKey of N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The InChIKey is FJDHYVWAZKMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-6-13-12(15)8-14-10-7-9-4-5-11(10)16-9/h9-11,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide is sourced from PubChem (CID 80719337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).