2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H19N3O5 — CID 41458994

IUPAC2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O5/c1-13-10-16(7-8-17(13)22(25)26)27-12-18(23)20-14-4-2-5-15(11-14)21-9-3-6-19(21)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,20,23)
InChIKeyDXHNAIUXWKMIJY-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.05
Rot. Bonds6

About 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 41458994) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID41458994
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O5/c1-13-10-16(7-8-17(13)22(25)26)27-12-18(23)20-14-4-2-5-15(11-14)21-9-3-6-19(21)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,20,23)
InChIKeyDXHNAIUXWKMIJY-UHFFFAOYSA-N
XLogP3.05
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.05
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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Related Compounds

2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26458961
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 2173161
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 30703287

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 41458994) is 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is DXHNAIUXWKMIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-13-10-16(7-8-17(13)22(25)26)27-12-18(23)20-14-4-2-5-15(11-14)21-9-3-6-19(21)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,20,23).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 369.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 41458994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).