2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide

C22H23N3O4 — CID 25108097

IUPAC2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12
InChIInChI=1S/C22H23N3O4/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(12-10-15)25(28)29/h5-12,23H,3-4,13-14H2,1-2H3
InChIKeyZHDGKCYNNBNSNX-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.57
Rot. Bonds8

About 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide

2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (PubChem CID 25108097) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
PubChem CID25108097
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12
InChIInChI=1S/C22H23N3O4/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(12-10-15)25(28)29/h5-12,23H,3-4,13-14H2,1-2H3
InChIKeyZHDGKCYNNBNSNX-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-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
CID 25107713
2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 11350240
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
3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25107779
[3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]-2-oxoacetyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]carbamic acid
CID 142636000
N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 25107851
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
1-(4-nitrophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11426319
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7355755
ethyl 2-[5-chloro-2-(4-nitrophenyl)-1H-indol-3-yl]butanoate
CID 174444265

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (CID 25108097) is 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The InChIKey is ZHDGKCYNNBNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(12-10-15)25(28)29/h5-12,23H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
2-[2-(4-nitrophenyl)-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-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 25108097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).