2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

C14H19N3O3 — CID 83079551

IUPAC2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCN1
InChIInChI=1S/C14H19N3O3/c1-3-14(9-4-10-15-14)13(18)16(2)11-5-7-12(8-6-11)17(19)20/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyPZQLXGYNXKLERH-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.09
Rot. Bonds4

About 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 83079551) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID83079551
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCN1
InChIInChI=1S/C14H19N3O3/c1-3-14(9-4-10-15-14)13(18)16(2)11-5-7-12(8-6-11)17(19)20/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyPZQLXGYNXKLERH-UHFFFAOYSA-N
XLogP2.09
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975067
2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064403
(2S)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761877
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974444
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide (CID 83079551) is 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCN1.
What is the InChIKey of 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is PZQLXGYNXKLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-14(9-4-10-15-14)13(18)16(2)11-5-7-12(8-6-11)17(19)20/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83079551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).