2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C17H24N4O5 — CID 3230336

IUPAC2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O5/c1-2-26-12-6-10-18-16(22)15-9-5-11-20(15)17(23)19-13-7-3-4-8-14(13)21(24)25/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyWIHJBNUHPNWHTO-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.13
Rot. Bonds8

About 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230336) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230336
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O5/c1-2-26-12-6-10-18-16(22)15-9-5-11-20(15)17(23)19-13-7-3-4-8-14(13)21(24)25/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyWIHJBNUHPNWHTO-UHFFFAOYSA-N
XLogP2.13
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 3230336) is 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is CCOCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is WIHJBNUHPNWHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-2-26-12-6-10-18-16(22)15-9-5-11-20(15)17(23)19-13-7-3-4-8-14(13)21(24)25/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).