4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide

C16H29NO — CID 841732

IUPAC4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H29NO/c1-16(2,3)13-10-8-12(9-11-13)15(18)17-14-6-4-5-7-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyXMJSTQPGZJDVSP-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.90
Rot. Bonds2

About 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide

4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide (PubChem CID 841732) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide
PubChem CID841732
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H29NO/c1-16(2,3)13-10-8-12(9-11-13)15(18)17-14-6-4-5-7-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyXMJSTQPGZJDVSP-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide (CID 841732) is 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide?
The InChIKey is XMJSTQPGZJDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(2,3)13-10-8-12(9-11-13)15(18)17-14-6-4-5-7-14/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide?
4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide is sourced from PubChem (CID 841732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).