N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide

C13H24N2O2 — CID 2292753

IUPACN-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-11(16)9-14-12(17)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyKBIQWRHXRRRVPQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2292753) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2292753
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-11(16)9-14-12(17)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyKBIQWRHXRRRVPQ-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 2292753) is N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide is CC(C)(C)NC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is KBIQWRHXRRRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)15-11(16)9-14-12(17)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2292753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).