N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide

C15H28N2O2 — CID 95301932

IUPACN-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H]1CCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-19-12-15(18)16-13-9-10-17(11-13)14-7-5-3-4-6-8-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyGDFOOQDAIDJXBN-ZDUSSCGKSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds5

About N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide

N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide (PubChem CID 95301932) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide
PubChem CID95301932
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H]1CCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-19-12-15(18)16-13-9-10-17(11-13)14-7-5-3-4-6-8-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyGDFOOQDAIDJXBN-ZDUSSCGKSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide (CID 95301932) is N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide is CCOCC(=O)N[C@H]1CCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide?
The InChIKey is GDFOOQDAIDJXBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-19-12-15(18)16-13-9-10-17(11-13)14-7-5-3-4-6-8-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide?
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 95301932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).