N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide

C14H25NO — CID 4189567

IUPACN-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
SMILESCC1CC(NC(=O)C2CCC2)CC(C)(C)C1
InChIInChI=1S/C14H25NO/c1-10-7-12(9-14(2,3)8-10)15-13(16)11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyZFQBCIVKMLSSHD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.12
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide

N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide (PubChem CID 4189567) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
PubChem CID4189567
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
SMILESCC1CC(NC(=O)C2CCC2)CC(C)(C)C1
InChIInChI=1S/C14H25NO/c1-10-7-12(9-14(2,3)8-10)15-13(16)11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyZFQBCIVKMLSSHD-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide (CID 4189567) is N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide is CC1CC(NC(=O)C2CCC2)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide?
The InChIKey is ZFQBCIVKMLSSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-7-12(9-14(2,3)8-10)15-13(16)11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide?
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide is sourced from PubChem (CID 4189567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).