N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide

C16H29N3O2 — CID 95216515

IUPACN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)NC[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-3-18(4-2)16(21)15(20)17-11-13-9-10-19(12-13)14-7-5-6-8-14/h13-14H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyPOPDCMCHYJFOPC-ZDUSSCGKSA-N
MW295.43 g/mol
LogP1.24
Rot. Bonds5

About N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide (PubChem CID 95216515) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide
PubChem CID95216515
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)NC[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-3-18(4-2)16(21)15(20)17-11-13-9-10-19(12-13)14-7-5-6-8-14/h13-14H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyPOPDCMCHYJFOPC-ZDUSSCGKSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide?
The IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide (CID 95216515) is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide.
What is the SMILES notation for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide?
The canonical SMILES for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)NC[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide?
The InChIKey is POPDCMCHYJFOPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-18(4-2)16(21)15(20)17-11-13-9-10-19(12-13)14-7-5-6-8-14/h13-14H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide?
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide has a molecular weight of 295.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide is sourced from PubChem (CID 95216515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).