2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide

C17H32N2O2 — CID 64548760

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide
SMILESCC(OCC1(N)CCCCCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-14(16(20)19-15-9-5-4-6-10-15)21-13-17(18)11-7-2-3-8-12-17/h14-15H,2-13,18H2,1H3,(H,19,20)
InChIKeyRXEATOUNKIITOA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.89
Rot. Bonds5

About 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide

2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide (PubChem CID 64548760) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide
PubChem CID64548760
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide
SMILESCC(OCC1(N)CCCCCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-14(16(20)19-15-9-5-4-6-10-15)21-13-17(18)11-7-2-3-8-12-17/h14-15H,2-13,18H2,1H3,(H,19,20)
InChIKeyRXEATOUNKIITOA-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide (CID 64548760) is 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide is CC(OCC1(N)CCCCCC1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide?
The InChIKey is RXEATOUNKIITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(16(20)19-15-9-5-4-6-10-15)21-13-17(18)11-7-2-3-8-12-17/h14-15H,2-13,18H2,1H3,(H,19,20).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide?
2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide has a molecular weight of 296.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-cyclohexylpropanamide is sourced from PubChem (CID 64548760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).