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

C15H21N3O2 — CID 3156706

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide
SMILESCCN1CCCC1CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-2-18-10-6-9-13(18)11-16-14(19)15(20)17-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyRVGUQPGNMZYGQO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.23
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide (PubChem CID 3156706) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide
PubChem CID3156706
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide
SMILESCCN1CCCC1CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-2-18-10-6-9-13(18)11-16-14(19)15(20)17-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyRVGUQPGNMZYGQO-UHFFFAOYSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.23
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-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide (CID 3156706) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide is CCN1CCCC1CNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide?
The InChIKey is RVGUQPGNMZYGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-18-10-6-9-13(18)11-16-14(19)15(20)17-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide has a molecular weight of 275.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-phenyloxamide is sourced from PubChem (CID 3156706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).