N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide

C15H19N3O3 — CID 115596181

IUPACN-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H19N3O3/c1-4-15(2,3)16-14(19)10-17-8-7-11-9-12(18(20)21)5-6-13(11)17/h5-9H,4,10H2,1-3H3,(H,16,19)
InChIKeyWYXYVZKENAURTA-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.85
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide

N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide (PubChem CID 115596181) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide
PubChem CID115596181
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H19N3O3/c1-4-15(2,3)16-14(19)10-17-8-7-11-9-12(18(20)21)5-6-13(11)17/h5-9H,4,10H2,1-3H3,(H,16,19)
InChIKeyWYXYVZKENAURTA-UHFFFAOYSA-N
XLogP2.85
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.85
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

N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620
(2R)-N-tert-butyl-2-[[2-(5-nitroindol-1-yl)acetyl]amino]propanamide
CID 94820065
1-(5-nitroindol-1-yl)butan-2-one
CID 62041234
[[2-(5-nitroindol-1-yl)acetyl]amino]carbamodithioic acid
CID 11121605
N-(2-methylbutan-2-yl)-2-(4-nitroindol-1-yl)acetamide
CID 115635433
1-(2-methylprop-2-enyl)-5-nitroindole
CID 116619158
N-(1-tert-butylbenzimidazol-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 71883752
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102913346
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(5-nitroindol-1-yl)acetamide
CID 52531647
tert-butyl N-[3-(5-nitroindol-1-yl)propyl]carbamate
CID 129185889
2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide
CID 56547425
1-(5-nitroindol-1-yl)propan-2-ol
CID 116619106

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide (CID 115596181) is N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide is CCC(C)(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide?
The InChIKey is WYXYVZKENAURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-15(2,3)16-14(19)10-17-8-7-11-9-12(18(20)21)5-6-13(11)17/h5-9H,4,10H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide is sourced from PubChem (CID 115596181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).