3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide

C20H21N3O4 — CID 69488419

IUPAC3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide
SMILESCN1C(=O)C(C)(C)c2cc(C(CC(N)=O)c3ccccc3)c([N+](=O)[O-])cc21
InChIInChI=1S/C20H21N3O4/c1-20(2)15-9-14(13(10-18(21)24)12-7-5-4-6-8-12)16(23(26)27)11-17(15)22(3)19(20)25/h4-9,11,13H,10H2,1-3H3,(H2,21,24)
InChIKeyAMUWBVTYABHOFG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds5

About 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide

3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide (PubChem CID 69488419) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide
PubChem CID69488419
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide
SMILESCN1C(=O)C(C)(C)c2cc(C(CC(N)=O)c3ccccc3)c([N+](=O)[O-])cc21
InChIInChI=1S/C20H21N3O4/c1-20(2)15-9-14(13(10-18(21)24)12-7-5-4-6-8-12)16(23(26)27)11-17(15)22(3)19(20)25/h4-9,11,13H,10H2,1-3H3,(H2,21,24)
InChIKeyAMUWBVTYABHOFG-UHFFFAOYSA-N
XLogP2.86
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide?
The IUPAC name of 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide (CID 69488419) is 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide.
What is the SMILES notation for 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide?
The canonical SMILES for 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide is CN1C(=O)C(C)(C)c2cc(C(CC(N)=O)c3ccccc3)c([N+](=O)[O-])cc21.
What is the InChIKey of 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide?
The InChIKey is AMUWBVTYABHOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(2)15-9-14(13(10-18(21)24)12-7-5-4-6-8-12)16(23(26)27)11-17(15)22(3)19(20)25/h4-9,11,13H,10H2,1-3H3,(H2,21,24).
What are the key properties of 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide?
3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)propanamide is sourced from PubChem (CID 69488419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).