4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide

C14H28N2O2 — CID 120591072

IUPAC4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)C1CCCCCCC1
InChIInChI=1S/C14H28N2O2/c1-16(14(17)10-13(11-15)18-2)12-8-6-4-3-5-7-9-12/h12-13H,3-11,15H2,1-2H3
InChIKeyBJTJUYLPYZQRGB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.92
Rot. Bonds5

About 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide

4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide (PubChem CID 120591072) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
PubChem CID120591072
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)C1CCCCCCC1
InChIInChI=1S/C14H28N2O2/c1-16(14(17)10-13(11-15)18-2)12-8-6-4-3-5-7-9-12/h12-13H,3-11,15H2,1-2H3
InChIKeyBJTJUYLPYZQRGB-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120591214
4-amino-N-(dicyclopropylmethyl)-3-methoxy-N-methylbutanamide
CID 120590887
3-amino-N-cyclobutyl-2-methoxy-N-methylpropanamide
CID 106113872
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
4-amino-N-(dicyclopropylmethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590886
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methoxybutanamide
CID 103154406
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
CID 79474162
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide
CID 120589287
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide (CID 120591072) is 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide is COC(CN)CC(=O)N(C)C1CCCCCCC1.
What is the InChIKey of 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide?
The InChIKey is BJTJUYLPYZQRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-16(14(17)10-13(11-15)18-2)12-8-6-4-3-5-7-9-12/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide?
4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 120591072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).