3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide

C22H25N3O3 — CID 83280107

IUPAC3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide
SMILESCC(C)CNC(=O)CC(c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12
InChIInChI=1S/C22H25N3O3/c1-15(2)13-23-22(26)12-18(16-8-5-7-11-21(16)25(27)28)19-14-24(3)20-10-6-4-9-17(19)20/h4-11,14-15,18H,12-13H2,1-3H3,(H,23,26)
InChIKeyLONALNFRVNWPRW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.38
Rot. Bonds7

About 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide

3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide (PubChem CID 83280107) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide
PubChem CID83280107
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide
SMILESCC(C)CNC(=O)CC(c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12
InChIInChI=1S/C22H25N3O3/c1-15(2)13-23-22(26)12-18(16-8-5-7-11-21(16)25(27)28)19-14-24(3)20-10-6-4-9-17(19)20/h4-11,14-15,18H,12-13H2,1-3H3,(H,23,26)
InChIKeyLONALNFRVNWPRW-UHFFFAOYSA-N
XLogP4.38
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.38
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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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide
CID 90488656
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90535057
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90491001
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide (CID 83280107) is 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide is CC(C)CNC(=O)CC(c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide?
The InChIKey is LONALNFRVNWPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)13-23-22(26)12-18(16-8-5-7-11-21(16)25(27)28)19-14-24(3)20-10-6-4-9-17(19)20/h4-11,14-15,18H,12-13H2,1-3H3,(H,23,26).
What are the key properties of 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide?
3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide is sourced from PubChem (CID 83280107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).