2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide

C13H26N2O3 — CID 64572690

IUPAC2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OCC1(N)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-11(12(16)15-8-9-17-2)18-10-13(14)6-4-3-5-7-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyHMIXCURIBXDMMQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds7

About 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide

2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 64572690) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
PubChem CID64572690
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OCC1(N)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-11(12(16)15-8-9-17-2)18-10-13(14)6-4-3-5-7-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyHMIXCURIBXDMMQ-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide (CID 64572690) is 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)OCC1(N)CCCCC1.
What is the InChIKey of 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is HMIXCURIBXDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(12(16)15-8-9-17-2)18-10-13(14)6-4-3-5-7-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide?
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 64572690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).