N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide

C14H19N3O4 — CID 4576152

IUPACN-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCCC1
InChIInChI=1S/C14H19N3O4/c1-10(16-7-3-4-8-16)14(18)15-12-9-11(17(19)20)5-6-13(12)21-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyMPDRDTXAQJXDFM-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.03
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide

N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 4576152) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID4576152
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCCC1
InChIInChI=1S/C14H19N3O4/c1-10(16-7-3-4-8-16)14(18)15-12-9-11(17(19)20)5-6-13(12)21-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyMPDRDTXAQJXDFM-UHFFFAOYSA-N
XLogP2.03
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.03
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-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide (CID 4576152) is N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCCC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is MPDRDTXAQJXDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(16-7-3-4-8-16)14(18)15-12-9-11(17(19)20)5-6-13(12)21-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide?
N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 293.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 4576152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).