N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide

C22H40N2O2 — CID 123758150

IUPACN-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
SMILESCCC(C)(NC(=O)C1CCCCCCC1)C(=O)C1CCCCCCC1N
InChIInChI=1S/C22H40N2O2/c1-3-22(2,20(25)18-15-11-7-8-12-16-19(18)23)24-21(26)17-13-9-5-4-6-10-14-17/h17-19H,3-16,23H2,1-2H3,(H,24,26)
InChIKeyYULNEPITXUDCEU-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.50
Rot. Bonds5

About N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide

N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide (PubChem CID 123758150) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
PubChem CID123758150
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC NameN-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
SMILESCCC(C)(NC(=O)C1CCCCCCC1)C(=O)C1CCCCCCC1N
InChIInChI=1S/C22H40N2O2/c1-3-22(2,20(25)18-15-11-7-8-12-16-19(18)23)24-21(26)17-13-9-5-4-6-10-14-17/h17-19H,3-16,23H2,1-2H3,(H,24,26)
InChIKeyYULNEPITXUDCEU-UHFFFAOYSA-N
XLogP4.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 106188227
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 64852632
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 106188264
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718713
N-(2,3-dimethylbutan-2-yl)cyclohexanecarboxamide
CID 126636140

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide?
The IUPAC name of N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide (CID 123758150) is N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide.
What is the SMILES notation for N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide?
The canonical SMILES for N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide is CCC(C)(NC(=O)C1CCCCCCC1)C(=O)C1CCCCCCC1N.
What is the InChIKey of N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide?
The InChIKey is YULNEPITXUDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-3-22(2,20(25)18-15-11-7-8-12-16-19(18)23)24-21(26)17-13-9-5-4-6-10-14-17/h17-19H,3-16,23H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide?
N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide has a molecular weight of 364.57 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide is sourced from PubChem (CID 123758150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).