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

C15H22N3O2+ — CID 7242434

IUPACN-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide
SMILESCC[NH+]1CCC[C@H]1CNC(=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)/p+1/t13-/m0/s1
InChIKeyRVGUQPGNMZYGQO-ZDUSSCGKSA-O
MW276.36 g/mol
LogP-0.19
Rot. Bonds4

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

N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide (PubChem CID 7242434) has the molecular formula C15H22N3O2+ and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide
PubChem CID7242434
Molecular FormulaC15H22N3O2+
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide
SMILESCC[NH+]1CCC[C@H]1CNC(=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)/p+1/t13-/m0/s1
InChIKeyRVGUQPGNMZYGQO-ZDUSSCGKSA-O
XLogP-0.19
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]oxamide
CID 7330201
N'-phenyl-N-propyloxamide
CID 2291438
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 8839695
N-butyl-N'-phenyloxamide
CID 2290889
1-(2,5-dimethylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea
CID 7939385
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 121020500
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-(cyclohexylmethyl)-N'-(4-ethoxyphenyl)oxamide
CID 2988776
S-[2-[(2-anilino-2-oxoacetyl)amino]ethyl] ethanethioate
CID 10945372

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide (CID 7242434) is N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide is CC[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide?
The InChIKey is RVGUQPGNMZYGQO-ZDUSSCGKSA-O. 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)/p+1/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide?
N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide has a molecular weight of 276.36 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-phenyloxamide is sourced from PubChem (CID 7242434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).