3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide

C23H27N3O4 — CID 42803805

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCCOC)c3cccc([N+](=O)[O-])c3)c[nH]c12
InChIInChI=1S/C23H27N3O4/c1-3-16-7-5-10-19-21(15-25-23(16)19)20(14-22(27)24-11-6-12-30-2)17-8-4-9-18(13-17)26(28)29/h4-5,7-10,13,15,20,25H,3,6,11-12,14H2,1-2H3,(H,24,27)
InChIKeyDBMOEGSCEREYTG-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.31
Rot. Bonds10

About 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide

3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide (PubChem CID 42803805) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
PubChem CID42803805
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCCOC)c3cccc([N+](=O)[O-])c3)c[nH]c12
InChIInChI=1S/C23H27N3O4/c1-3-16-7-5-10-19-21(15-25-23(16)19)20(14-22(27)24-11-6-12-30-2)17-8-4-9-18(13-17)26(28)29/h4-5,7-10,13,15,20,25H,3,6,11-12,14H2,1-2H3,(H,24,27)
InChIKeyDBMOEGSCEREYTG-UHFFFAOYSA-N
XLogP4.31
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3S)-N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93122634
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide (CID 42803805) is 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide is CCc1cccc2c(C(CC(=O)NCCCOC)c3cccc([N+](=O)[O-])c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide?
The InChIKey is DBMOEGSCEREYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-16-7-5-10-19-21(15-25-23(16)19)20(14-22(27)24-11-6-12-30-2)17-8-4-9-18(13-17)26(28)29/h4-5,7-10,13,15,20,25H,3,6,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide?
3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide has a molecular weight of 409.49 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide is sourced from PubChem (CID 42803805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).