2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

C22H23N3O4 — CID 25107713

IUPAC2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C22H23N3O4/c1-3-12-24(13-4-2)22(27)21(26)19-17-14-16(25(28)29)10-11-18(17)23-20(19)15-8-6-5-7-9-15/h5-11,14,23H,3-4,12-13H2,1-2H3
InChIKeyYRPMKMASAGNATL-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.57
Rot. Bonds8

About 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (PubChem CID 25107713) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
PubChem CID25107713
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C22H23N3O4/c1-3-12-24(13-4-2)22(27)21(26)19-17-14-16(25(28)29)10-11-18(17)23-20(19)15-8-6-5-7-9-15/h5-11,14,23H,3-4,12-13H2,1-2H3
InChIKeyYRPMKMASAGNATL-UHFFFAOYSA-N
XLogP4.57
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 25108097
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25107779
2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 11350240
[3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]-2-oxoacetyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]carbamic acid
CID 142636000
2-[2-(4-aminophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 122183500
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
CID 122183517
ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
CID 766186
(5-nitro-3-phenyl-1H-indol-2-yl) hydrogen carbonate
CID 68849165
N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
CID 25107915
2-iodo-5-nitro-N,N-dipropylbenzamide
CID 43317576
2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320
3-[N-[4-[2-[ethyl(2-hydroxyethyl)amino]ethyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol
CID 135622002

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (CID 25107713) is 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The InChIKey is YRPMKMASAGNATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-12-24(13-4-2)22(27)21(26)19-17-14-16(25(28)29)10-11-18(17)23-20(19)15-8-6-5-7-9-15/h5-11,14,23H,3-4,12-13H2,1-2H3.
What are the key properties of 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide has a molecular weight of 393.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 25107713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).