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

C23H25N3O4 — CID 50994211

IUPAC2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccccc12
InChIInChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
InChIKeyLPXSAPLUDNTXOW-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.58
Rot. Bonds8

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

2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide (PubChem CID 50994211) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide
PubChem CID50994211
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccccc12
InChIInChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
InChIKeyLPXSAPLUDNTXOW-UHFFFAOYSA-N
XLogP4.58
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Olinone
CID 91668531
Jwh-205
CID 44397436
Jwh-209
CID 44397465
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CID 44397635
9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
CID 598875
N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide
CID 16124785
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 11744496
3-(1-methyl-1H-indol-3-yl)-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327716
2-(3-fluorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397406
2-(2-fluorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397542
1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione
CID 3707234
N-(2,6-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 5305418

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide (CID 50994211) is 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccccc12.
What is the InChIKey of 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The InChIKey is LPXSAPLUDNTXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide?
2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide has a molecular weight of 407.47 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 50994211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).