4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide

C13H17N3O3 — CID 119451956

IUPAC4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NC2CCNC2)cc1
InChIInChI=1S/C13H17N3O3/c14-13(18)9-1-3-11(4-2-9)19-8-12(17)16-10-5-6-15-7-10/h1-4,10,15H,5-8H2,(H2,14,18)(H,16,17)
InChIKeyMAQWXVFBZJCSGX-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.36
Rot. Bonds5

About 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide

4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide (PubChem CID 119451956) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
PubChem CID119451956
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NC2CCNC2)cc1
InChIInChI=1S/C13H17N3O3/c14-13(18)9-1-3-11(4-2-9)19-8-12(17)16-10-5-6-15-7-10/h1-4,10,15H,5-8H2,(H2,14,18)(H,16,17)
InChIKeyMAQWXVFBZJCSGX-UHFFFAOYSA-N
XLogP-0.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
2-(4-benzoylphenoxy)-N-piperidin-3-ylacetamide
CID 119426216
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 63661589
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide (CID 119451956) is 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)NC2CCNC2)cc1.
What is the InChIKey of 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide?
The InChIKey is MAQWXVFBZJCSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(18)9-1-3-11(4-2-9)19-8-12(17)16-10-5-6-15-7-10/h1-4,10,15H,5-8H2,(H2,14,18)(H,16,17).
What are the key properties of 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide?
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide has a molecular weight of 263.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide is sourced from PubChem (CID 119451956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).