2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide

C15H21N3O3 — CID 83064403

IUPAC2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1
InChIInChI=1S/C15H21N3O3/c1-3-15(9-6-10-16-15)14(19)17(2)11-12-7-4-5-8-13(12)18(20)21/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyAYXVXGJEVWJFFX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds5

About 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide

2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 83064403) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID83064403
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1
InChIInChI=1S/C15H21N3O3/c1-3-15(9-6-10-16-15)14(19)17(2)11-12-7-4-5-8-13(12)18(20)21/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyAYXVXGJEVWJFFX-UHFFFAOYSA-N
XLogP2.09
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
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

1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127
2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 75424637
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723179
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410
3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 106112051
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide (CID 83064403) is 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide is CCC1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1.
What is the InChIKey of 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is AYXVXGJEVWJFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(9-6-10-16-15)14(19)17(2)11-12-7-4-5-8-13(12)18(20)21/h4-5,7-8,16H,3,6,9-11H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide?
2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.09, 5 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-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83064403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).