N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O5 — CID 108785663

IUPACN-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O5/c1-3-13-4-5-15(11-18(13)23(26)27)21-20(25)14-10-19(24)22(12-14)16-6-8-17(28-2)9-7-16/h4-9,11,14H,3,10,12H2,1-2H3,(H,21,25)
InChIKeyIMEXMTSLSYPISQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.16
Rot. Bonds6

About N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108785663) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108785663
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O5/c1-3-13-4-5-15(11-18(13)23(26)27)21-20(25)14-10-19(24)22(12-14)16-6-8-17(28-2)9-7-16/h4-9,11,14H,3,10,12H2,1-2H3,(H,21,25)
InChIKeyIMEXMTSLSYPISQ-UHFFFAOYSA-N
XLogP3.16
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.16
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

(3S)-1-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004968
N-(4-ethyl-3-nitrophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791163
(3S)-1-(4-ethoxyphenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056123
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-(4-chloro-3-nitrophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388767
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-N-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39753290
(3S)-N-(4-methyl-3-nitrophenyl)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056099
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351791

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 108785663) is N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IMEXMTSLSYPISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-3-13-4-5-15(11-18(13)23(26)27)21-20(25)14-10-19(24)22(12-14)16-6-8-17(28-2)9-7-16/h4-9,11,14H,3,10,12H2,1-2H3,(H,21,25).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108785663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).