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

C17H25N3O2 — CID 2955739

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-3-20-11-7-10-15(20)12-18-16(21)17(22)19-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXVBCNGROWIXNJF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.46
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide (PubChem CID 2955739) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide
PubChem CID2955739
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-3-20-11-7-10-15(20)12-18-16(21)17(22)19-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXVBCNGROWIXNJF-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.46
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'-(1-phenylethyl)oxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide (CID 2955739) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide is CCN1CCCC1CNC(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is XVBCNGROWIXNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-20-11-7-10-15(20)12-18-16(21)17(22)19-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 1.46, 5 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'-(1-phenylethyl)oxamide is sourced from PubChem (CID 2955739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).