2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide

C15H28N2O3 — CID 65051806

IUPAC2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide
SMILESNCC1(OCC(=O)NC2CCOCC2)CCCCCC1
InChIInChI=1S/C15H28N2O3/c16-12-15(7-3-1-2-4-8-15)20-11-14(18)17-13-5-9-19-10-6-13/h13H,1-12,16H2,(H,17,18)
InChIKeyURNKFCPPDDXNEO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.35
Rot. Bonds5

About 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide

2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide (PubChem CID 65051806) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide
PubChem CID65051806
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide
SMILESNCC1(OCC(=O)NC2CCOCC2)CCCCCC1
InChIInChI=1S/C15H28N2O3/c16-12-15(7-3-1-2-4-8-15)20-11-14(18)17-13-5-9-19-10-6-13/h13H,1-12,16H2,(H,17,18)
InChIKeyURNKFCPPDDXNEO-UHFFFAOYSA-N
XLogP1.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide (CID 65051806) is 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide is NCC1(OCC(=O)NC2CCOCC2)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide?
The InChIKey is URNKFCPPDDXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c16-12-15(7-3-1-2-4-8-15)20-11-14(18)17-13-5-9-19-10-6-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide?
2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 65051806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).