2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

C15H21N3O5 — CID 119534991

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCOc1cc(OCC(=O)NCCC2CCNC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O5/c1-22-14-8-12(2-3-13(14)18(20)21)23-10-15(19)17-7-5-11-4-6-16-9-11/h2-3,8,11,16H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyIVIIZCDHWUVDIG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.10
Rot. Bonds8

About 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119534991) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119534991
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCOc1cc(OCC(=O)NCCC2CCNC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O5/c1-22-14-8-12(2-3-13(14)18(20)21)23-10-15(19)17-7-5-11-4-6-16-9-11/h2-3,8,11,16H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyIVIIZCDHWUVDIG-UHFFFAOYSA-N
XLogP1.10
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535264
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119442293
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119534991) is 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is COc1cc(OCC(=O)NCCC2CCNC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is IVIIZCDHWUVDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-22-14-8-12(2-3-13(14)18(20)21)23-10-15(19)17-7-5-11-4-6-16-9-11/h2-3,8,11,16H,4-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119534991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).