3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide

C14H19N3O4 — CID 63139072

IUPAC3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCNC1
InChIInChI=1S/C14H19N3O4/c1-3-14(6-7-15-9-14)13(18)16-11-5-4-10(21-2)8-12(11)17(19)20/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIPYRDQDNGIXOEP-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds5

About 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide

3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide (PubChem CID 63139072) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
PubChem CID63139072
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCNC1
InChIInChI=1S/C14H19N3O4/c1-3-14(6-7-15-9-14)13(18)16-11-5-4-10(21-2)8-12(11)17(19)20/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIPYRDQDNGIXOEP-UHFFFAOYSA-N
XLogP1.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
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'}

Analyze 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide
CID 146022348
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
CID 115452553
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
3-ethyl-N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63140077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide (CID 63139072) is 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCNC1.
What is the InChIKey of 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide?
The InChIKey is IPYRDQDNGIXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-14(6-7-15-9-14)13(18)16-11-5-4-10(21-2)8-12(11)17(19)20/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).