N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

C15H19N3O5 — CID 6456706

IUPACN-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c1-23-11-4-5-12(13(10-11)18(21)22)16-14(19)6-7-15(20)17-8-2-3-9-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,19)
InChIKeyDRMQCLMIOMYMMU-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.94
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 6456706) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID6456706
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c1-23-11-4-5-12(13(10-11)18(21)22)16-14(19)6-7-15(20)17-8-2-3-9-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,19)
InChIKeyDRMQCLMIOMYMMU-UHFFFAOYSA-N
XLogP1.94
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.94
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-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 6456706) is N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is COc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is DRMQCLMIOMYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-23-11-4-5-12(13(10-11)18(21)22)16-14(19)6-7-15(20)17-8-2-3-9-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 321.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 6456706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).