N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide

C23H21N3O4 — CID 90488656

IUPACN-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide
SMILESCn1cc(C(CC(=O)NCc2ccco2)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C23H21N3O4/c1-25-15-21(19-6-2-3-7-22(19)25)20(16-8-10-17(11-9-16)26(28)29)13-23(27)24-14-18-5-4-12-30-18/h2-12,15,20H,13-14H2,1H3,(H,24,27)
InChIKeyNPLQIPYXXBAMIA-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.52
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide

N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide (PubChem CID 90488656) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide
PubChem CID90488656
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide
SMILESCn1cc(C(CC(=O)NCc2ccco2)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C23H21N3O4/c1-25-15-21(19-6-2-3-7-22(19)25)20(16-8-10-17(11-9-16)26(28)29)13-23(27)24-14-18-5-4-12-30-18/h2-12,15,20H,13-14H2,1H3,(H,24,27)
InChIKeyNPLQIPYXXBAMIA-UHFFFAOYSA-N
XLogP4.52
TPSA90.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396
3-(1-benzyl-5-nitroindol-3-yl)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 83279167
1-methyl-3-[2-nitro-1-(4-nitrophenyl)ethyl]indole
CID 135011392
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide
CID 83280107
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90535057
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide (CID 90488656) is N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide is Cn1cc(C(CC(=O)NCc2ccco2)c2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide?
The InChIKey is NPLQIPYXXBAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-25-15-21(19-6-2-3-7-22(19)25)20(16-8-10-17(11-9-16)26(28)29)13-23(27)24-14-18-5-4-12-30-18/h2-12,15,20H,13-14H2,1H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide?
N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide has a molecular weight of 403.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide is sourced from PubChem (CID 90488656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).