N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide

C14H19N3O4 — CID 104783801

IUPACN-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CCNC1
InChIInChI=1S/C14H19N3O4/c1-3-16(11-6-7-15-9-11)14(18)10-4-5-12(17(19)20)13(8-10)21-2/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyAYIFYTPIPPHSIM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.43
Rot. Bonds5

About N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide

N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide (PubChem CID 104783801) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
PubChem CID104783801
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CCNC1
InChIInChI=1S/C14H19N3O4/c1-3-16(11-6-7-15-9-11)14(18)10-4-5-12(17(19)20)13(8-10)21-2/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyAYIFYTPIPPHSIM-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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'}

Analyze N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide 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-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552123
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
N-ethyl-2,6-difluoro-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 79759439
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005
2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119442293
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide
CID 63636738
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide (CID 104783801) is N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide is CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CCNC1.
What is the InChIKey of N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide?
The InChIKey is AYIFYTPIPPHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-16(11-6-7-15-9-11)14(18)10-4-5-12(17(19)20)13(8-10)21-2/h4-5,8,11,15H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide?
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 104783801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).