2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide

C14H20N4O3 — CID 119536497

IUPAC2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CNc1ccccc1[N+](=O)[O-])NCCC1CCNC1
InChIInChI=1S/C14H20N4O3/c19-14(16-8-6-11-5-7-15-9-11)10-17-12-3-1-2-4-13(12)18(20)21/h1-4,11,15,17H,5-10H2,(H,16,19)
InChIKeySBINCRYPRHZGJZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.12
Rot. Bonds7

About 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119536497) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119536497
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CNc1ccccc1[N+](=O)[O-])NCCC1CCNC1
InChIInChI=1S/C14H20N4O3/c19-14(16-8-6-11-5-7-15-9-11)10-17-12-3-1-2-4-13(12)18(20)21/h1-4,11,15,17H,5-10H2,(H,16,19)
InChIKeySBINCRYPRHZGJZ-UHFFFAOYSA-N
XLogP1.12
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557911
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-[2-(2-nitroanilino)ethyl]pyrrolidine-3-carboxamide
CID 119692403
3-[2-nitro-4-(trifluoromethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535554
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
2,4-dinitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622156
N-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-3-ylethyl)propanamide
CID 119559099
4-(cyclopropylamino)-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534894

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119536497) is 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(CNc1ccccc1[N+](=O)[O-])NCCC1CCNC1.
What is the InChIKey of 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is SBINCRYPRHZGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(16-8-6-11-5-7-15-9-11)10-17-12-3-1-2-4-13(12)18(20)21/h1-4,11,15,17H,5-10H2,(H,16,19).
What are the key properties of 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119536497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).