3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide

C17H26N4O3 — CID 86794429

IUPAC3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1
InChIInChI=1S/C17H26N4O3/c1-5-19(6-2)14-7-8-20(11-14)17(22)18-15-10-16(21(23)24)13(4)9-12(15)3/h9-10,14H,5-8,11H2,1-4H3,(H,18,22)
InChIKeyIIOZEPUHXJEXCT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.16
Rot. Bonds5

About 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide

3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide (PubChem CID 86794429) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide
PubChem CID86794429
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1
InChIInChI=1S/C17H26N4O3/c1-5-19(6-2)14-7-8-20(11-14)17(22)18-15-10-16(21(23)24)13(4)9-12(15)3/h9-10,14H,5-8,11H2,1-4H3,(H,18,22)
InChIKeyIIOZEPUHXJEXCT-UHFFFAOYSA-N
XLogP3.16
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.16
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

(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
CID 99580240
3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
CID 72844192
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
3-(2,4-dimethyl-5-nitrophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 86794422
N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133341263
(2S)-2-amino-N-(2,4-dimethyl-5-nitrophenyl)hexanamide
CID 107146529
1-(2,4-dimethyl-5-nitrophenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75508661
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
4-[(1R)-1-hydroxyethyl]-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 99777913
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide (CID 86794429) is 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1.
What is the InChIKey of 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide?
The InChIKey is IIOZEPUHXJEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-19(6-2)14-7-8-20(11-14)17(22)18-15-10-16(21(23)24)13(4)9-12(15)3/h9-10,14H,5-8,11H2,1-4H3,(H,18,22).
What are the key properties of 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide?
3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86794429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).