3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide

C19H20N4O3 — CID 40718950

IUPAC3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O3/c24-19(10-14-22-13-9-15-3-1-2-4-18(15)22)21-12-11-20-16-5-7-17(8-6-16)23(25)26/h1-9,13,20H,10-12,14H2,(H,21,24)
InChIKeyLJJFJLAUGBWJEQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.17
Rot. Bonds8

About 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide

3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide (PubChem CID 40718950) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide
PubChem CID40718950
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O3/c24-19(10-14-22-13-9-15-3-1-2-4-18(15)22)21-12-11-20-16-5-7-17(8-6-16)23(25)26/h1-9,13,20H,10-12,14H2,(H,21,24)
InChIKeyLJJFJLAUGBWJEQ-UHFFFAOYSA-N
XLogP3.17
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308928
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
N-[2-(4-nitroanilino)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 41262843
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
4-(4-nitroanilino)-N-[2-(2-nitroanilino)ethyl]butanamide
CID 31738306
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308940
N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
3-(2-methylphenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308609
N-(2-hydroxyethyl)-4-(4-nitroanilino)butanamide
CID 78816797
N-(3-aminopropyl)-4-(4-nitroanilino)butanamide;hydrochloride
CID 119407663

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide (CID 40718950) is 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide is O=C(CCn1ccc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide?
The InChIKey is LJJFJLAUGBWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(10-14-22-13-9-15-3-1-2-4-18(15)22)21-12-11-20-16-5-7-17(8-6-16)23(25)26/h1-9,13,20H,10-12,14H2,(H,21,24).
What are the key properties of 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide?
3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide has a molecular weight of 352.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide is sourced from PubChem (CID 40718950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).