N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide

C13H16N4O4 — CID 61480339

IUPACN-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C13H16N4O4/c1-3-14-13(19)7(2)15-10-6-9-8(5-12(18)16-9)4-11(10)17(20)21/h4,6-7,15H,3,5H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyQJZICSMJXZVGPV-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.03
Rot. Bonds5

About N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide

N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide (PubChem CID 61480339) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
PubChem CID61480339
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C13H16N4O4/c1-3-14-13(19)7(2)15-10-6-9-8(5-12(18)16-9)4-11(10)17(20)21/h4,6-7,15H,3,5H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyQJZICSMJXZVGPV-UHFFFAOYSA-N
XLogP1.03
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide (CID 61480339) is N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide is CCNC(=O)C(C)Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide?
The InChIKey is QJZICSMJXZVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-14-13(19)7(2)15-10-6-9-8(5-12(18)16-9)4-11(10)17(20)21/h4,6-7,15H,3,5H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide?
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide has a molecular weight of 292.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide is sourced from PubChem (CID 61480339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).