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

C16H32N2O2 — CID 64551486

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C16H32N2O2/c1-3-4-9-12-18-15(19)14(2)20-13-16(17)10-7-5-6-8-11-16/h14H,3-13,17H2,1-2H3,(H,18,19)
InChIKeyMROICTKVTGCLOG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.75
Rot. Bonds8

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

2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide (PubChem CID 64551486) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
PubChem CID64551486
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C16H32N2O2/c1-3-4-9-12-18-15(19)14(2)20-13-16(17)10-7-5-6-8-11-16/h14H,3-13,17H2,1-2H3,(H,18,19)
InChIKeyMROICTKVTGCLOG-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
CID 106938268
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[(1-aminocyclopentyl)methoxy]-N-phenylpropanamide
CID 64574375
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide (CID 64551486) is 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)OCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide?
The InChIKey is MROICTKVTGCLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-9-12-18-15(19)14(2)20-13-16(17)10-7-5-6-8-11-16/h14H,3-13,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide?
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 2.75, 8 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-pentylpropanamide is sourced from PubChem (CID 64551486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).