N-cycloheptyl-2-(oxolan-3-ylamino)acetamide

C13H24N2O2 — CID 80714047

IUPACN-cycloheptyl-2-(oxolan-3-ylamino)acetamide
SMILESO=C(CNC1CCOC1)NC1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-13(9-14-12-7-8-17-10-12)15-11-5-3-1-2-4-6-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyNLDUWXXSRUFIAF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds4

About N-cycloheptyl-2-(oxolan-3-ylamino)acetamide

N-cycloheptyl-2-(oxolan-3-ylamino)acetamide (PubChem CID 80714047) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-cycloheptyl-2-(oxolan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(oxolan-3-ylamino)acetamide
PubChem CID80714047
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-cycloheptyl-2-(oxolan-3-ylamino)acetamide
SMILESO=C(CNC1CCOC1)NC1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-13(9-14-12-7-8-17-10-12)15-11-5-3-1-2-4-6-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyNLDUWXXSRUFIAF-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
The IUPAC name of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide (CID 80714047) is N-cycloheptyl-2-(oxolan-3-ylamino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(oxolan-3-ylamino)acetamide is O=C(CNC1CCOC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
The InChIKey is NLDUWXXSRUFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(9-14-12-7-8-17-10-12)15-11-5-3-1-2-4-6-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(oxolan-3-ylamino)acetamide is sourced from PubChem (CID 80714047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).