N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide

C14H19N3O3 — CID 106974156

IUPACN-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1
InChIInChI=1S/C14H19N3O3/c1-2-8-14(9-3-10-15-14)13(18)16-11-4-6-12(7-5-11)17(19)20/h4-7,15H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyROEPSATZQYWTBA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds5

About N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide

N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974156) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974156
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1
InChIInChI=1S/C14H19N3O3/c1-2-8-14(9-3-10-15-14)13(18)16-11-4-6-12(7-5-11)17(19)20/h4-7,15H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyROEPSATZQYWTBA-UHFFFAOYSA-N
XLogP2.46
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
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-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974444
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
(2S)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761877
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974156) is N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1.
What is the InChIKey of N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is ROEPSATZQYWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-8-14(9-3-10-15-14)13(18)16-11-4-6-12(7-5-11)17(19)20/h4-7,15H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).