N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide

C14H19N3O4 — CID 82177122

IUPACN-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCNC1
InChIInChI=1S/C14H19N3O4/c1-2-16(12-7-8-15-9-12)14(18)10-21-13-5-3-11(4-6-13)17(19)20/h3-6,12,15H,2,7-10H2,1H3
InChIKeyPSWGSQNPZMYDLP-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.18
Rot. Bonds6

About N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide

N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide (PubChem CID 82177122) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide
PubChem CID82177122
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCNC1
InChIInChI=1S/C14H19N3O4/c1-2-16(12-7-8-15-9-12)14(18)10-21-13-5-3-11(4-6-13)17(19)20/h3-6,12,15H,2,7-10H2,1H3
InChIKeyPSWGSQNPZMYDLP-UHFFFAOYSA-N
XLogP1.18
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide (CID 82177122) is N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide is CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCNC1.
What is the InChIKey of N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide?
The InChIKey is PSWGSQNPZMYDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-16(12-7-8-15-9-12)14(18)10-21-13-5-3-11(4-6-13)17(19)20/h3-6,12,15H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide?
N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide has a molecular weight of 293.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 82177122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).