N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide

C14H19N3O2 — CID 173109987

IUPACN-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide
SMILESCCNC(=O)C(=O)N(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c1-2-15-13(18)14(19)17(16-10-6-7-11-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,15,18)
InChIKeyMMTBDRAWXSGDIP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.17
Rot. Bonds3

About N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide

N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide (PubChem CID 173109987) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide.

Molecular Properties

Compound NameN-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide
PubChem CID173109987
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide
SMILESCCNC(=O)C(=O)N(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c1-2-15-13(18)14(19)17(16-10-6-7-11-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,15,18)
InChIKeyMMTBDRAWXSGDIP-UHFFFAOYSA-N
XLogP1.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl(pyrrolidin-1-yl)carbamic acid
CID 67619544
N-phenyl-N-piperidin-1-ylpyridine-4-carboxamide
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2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine
CID 174723354
ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate
CID 151371573
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
1-(ethylcarbamothioylamino)-1-phenylurea
CID 22301401
2-[phenyl-(N-pyrrolidin-1-ylanilino)methylidene]propanedinitrile
CID 11099060
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide
CID 172755097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide?
The IUPAC name of N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide (CID 173109987) is N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide.
What is the SMILES notation for N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide?
The canonical SMILES for N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide is CCNC(=O)C(=O)N(c1ccccc1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide?
The InChIKey is MMTBDRAWXSGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-15-13(18)14(19)17(16-10-6-7-11-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,15,18).
What are the key properties of N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide?
N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide has a molecular weight of 261.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide is sourced from PubChem (CID 173109987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).