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

C12H20N2O2 — CID 80719745

IUPACN-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
SMILESO=C(CNC1CC2CCC1O2)NCC1CC1
InChIInChI=1S/C12H20N2O2/c15-12(14-6-8-1-2-8)7-13-10-5-9-3-4-11(10)16-9/h8-11,13H,1-7H2,(H,14,15)
InChIKeyZLGWQCNGWKMZPO-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.42
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide (PubChem CID 80719745) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
PubChem CID80719745
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
SMILESO=C(CNC1CC2CCC1O2)NCC1CC1
InChIInChI=1S/C12H20N2O2/c15-12(14-6-8-1-2-8)7-13-10-5-9-3-4-11(10)16-9/h8-11,13H,1-7H2,(H,14,15)
InChIKeyZLGWQCNGWKMZPO-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide (CID 80719745) is N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide is O=C(CNC1CC2CCC1O2)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The InChIKey is ZLGWQCNGWKMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(14-6-8-1-2-8)7-13-10-5-9-3-4-11(10)16-9/h8-11,13H,1-7H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide has a molecular weight of 224.30 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide is sourced from PubChem (CID 80719745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).