2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide

C15H20N4O4 — CID 38562265

IUPAC2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H20N4O4/c1-10(2)17(8-14(16)20)9-15(21)18-6-5-11-3-4-12(19(22)23)7-13(11)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,16,20)
InChIKeyHEKHIKHHQVYWFP-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.68
Rot. Bonds6

About 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 38562265) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID38562265
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H20N4O4/c1-10(2)17(8-14(16)20)9-15(21)18-6-5-11-3-4-12(19(22)23)7-13(11)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,16,20)
InChIKeyHEKHIKHHQVYWFP-UHFFFAOYSA-N
XLogP0.68
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
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

3-[methyl-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911081
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 87017956
ethyl 2-methyl-3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 11011775
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
2-[1-cyclopropylethyl(methyl)amino]-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 75402610
3-(3,5-dimethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161133

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide (CID 38562265) is 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is HEKHIKHHQVYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10(2)17(8-14(16)20)9-15(21)18-6-5-11-3-4-12(19(22)23)7-13(11)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,16,20).
What are the key properties of 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 320.35 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 38562265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).