N-(3-cyanopentan-3-yl)cyclooctanecarboxamide

C15H26N2O — CID 65018271

IUPACN-(3-cyanopentan-3-yl)cyclooctanecarboxamide
SMILESCCC(C#N)(CC)NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-3-15(4-2,12-16)17-14(18)13-10-8-6-5-7-9-11-13/h13H,3-11H2,1-2H3,(H,17,18)
InChIKeySNWZBCHAQQNUOS-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.55
Rot. Bonds4

About N-(3-cyanopentan-3-yl)cyclooctanecarboxamide

N-(3-cyanopentan-3-yl)cyclooctanecarboxamide (PubChem CID 65018271) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)cyclooctanecarboxamide
PubChem CID65018271
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(3-cyanopentan-3-yl)cyclooctanecarboxamide
SMILESCCC(C#N)(CC)NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-3-15(4-2,12-16)17-14(18)13-10-8-6-5-7-9-11-13/h13H,3-11H2,1-2H3,(H,17,18)
InChIKeySNWZBCHAQQNUOS-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178540
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
CID 120532492
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-cyanocyclooctanecarboxamide
CID 79194342
N-(2,3-dimethylbutan-2-yl)cyclohexanecarboxamide
CID 126636140

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)cyclooctanecarboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)cyclooctanecarboxamide (CID 65018271) is N-(3-cyanopentan-3-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)cyclooctanecarboxamide is CCC(C#N)(CC)NC(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)cyclooctanecarboxamide?
The InChIKey is SNWZBCHAQQNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-15(4-2,12-16)17-14(18)13-10-8-6-5-7-9-11-13/h13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyanopentan-3-yl)cyclooctanecarboxamide?
N-(3-cyanopentan-3-yl)cyclooctanecarboxamide has a molecular weight of 250.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)cyclooctanecarboxamide is sourced from PubChem (CID 65018271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).