N-tert-butylcyclooctanecarboxamide

C13H25NO — CID 65022804

IUPACN-tert-butylcyclooctanecarboxamide
SMILESCC(C)(C)NC(=O)C1CCCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)14-12(15)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyWLQMETNGJCWNFE-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds1

About N-tert-butylcyclooctanecarboxamide

N-tert-butylcyclooctanecarboxamide (PubChem CID 65022804) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-tert-butylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-tert-butylcyclooctanecarboxamide
PubChem CID65022804
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-tert-butylcyclooctanecarboxamide
SMILESCC(C)(C)NC(=O)C1CCCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)14-12(15)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyWLQMETNGJCWNFE-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
N-(2,3-dimethylbutan-2-yl)cyclohexanecarboxamide
CID 126636140
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
CID 91668524
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
2-N-tert-butylcyclohexane-1,2-dicarboxamide
CID 82041026
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939

Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclooctanecarboxamide?
The IUPAC name of N-tert-butylcyclooctanecarboxamide (CID 65022804) is N-tert-butylcyclooctanecarboxamide.
What is the SMILES notation for N-tert-butylcyclooctanecarboxamide?
The canonical SMILES for N-tert-butylcyclooctanecarboxamide is CC(C)(C)NC(=O)C1CCCCCCC1.
What is the InChIKey of N-tert-butylcyclooctanecarboxamide?
The InChIKey is WLQMETNGJCWNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)14-12(15)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butylcyclooctanecarboxamide?
N-tert-butylcyclooctanecarboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclooctanecarboxamide is sourced from PubChem (CID 65022804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).