N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide

C14H26N2O — CID 134859235

IUPACN-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide
SMILESCC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1
InChIInChI=1S/C14H26N2O/c1-2-12-7-3-4-8-13(12)15-14(17)11-16-9-5-6-10-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyATBZPFIBEMJSQZ-CHWSQXEVSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide

N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 134859235) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide
PubChem CID134859235
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide
SMILESCC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1
InChIInChI=1S/C14H26N2O/c1-2-12-7-3-4-8-13(12)15-14(17)11-16-9-5-6-10-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyATBZPFIBEMJSQZ-CHWSQXEVSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide (CID 134859235) is N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide is CC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ATBZPFIBEMJSQZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-12-7-3-4-8-13(12)15-14(17)11-16-9-5-6-10-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide?
N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 134859235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).