N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

C16H23N3O2 — CID 3156713

IUPACN'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-2-19-10-6-9-14(19)12-18-16(21)15(20)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyIQWIQEJCGYQZPL-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.90
Rot. Bonds5

About N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (PubChem CID 3156713) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
PubChem CID3156713
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-2-19-10-6-9-14(19)12-18-16(21)15(20)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyIQWIQEJCGYQZPL-UHFFFAOYSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
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'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The IUPAC name of N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (CID 3156713) is N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The canonical SMILES for N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is CCN1CCCC1CNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The InChIKey is IQWIQEJCGYQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-19-10-6-9-14(19)12-18-16(21)15(20)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide has a molecular weight of 289.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 3156713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).