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

C12H14N4O4 — CID 43552851

IUPACN-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C12H14N4O4/c1-7(17)13-2-3-14-10-6-9-8(5-12(18)15-9)4-11(10)16(19)20/h4,6,14H,2-3,5H2,1H3,(H,13,17)(H,15,18)
InChIKeyZBOJUYGCOCTSRL-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.64
Rot. Bonds5

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

N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide (PubChem CID 43552851) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
PubChem CID43552851
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC NameN-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C12H14N4O4/c1-7(17)13-2-3-14-10-6-9-8(5-12(18)15-9)4-11(10)16(19)20/h4,6,14H,2-3,5H2,1H3,(H,13,17)(H,15,18)
InChIKeyZBOJUYGCOCTSRL-UHFFFAOYSA-N
XLogP0.64
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one
CID 104594187
2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
CID 83204859
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 63831578
6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
CID 106306976
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
CID 61480339
6-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-nitro-1,3-dihydroindol-2-one
CID 107866131
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide (CID 43552851) is N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide?
The InChIKey is ZBOJUYGCOCTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-7(17)13-2-3-14-10-6-9-8(5-12(18)15-9)4-11(10)16(19)20/h4,6,14H,2-3,5H2,1H3,(H,13,17)(H,15,18).
What are the key properties of N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide?
N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide is sourced from PubChem (CID 43552851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).