N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C20H22N4O4 — CID 55788549

IUPACN-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C20H22N4O4/c1-2-19(25)23-12-9-14-13-15(3-8-18(14)23)20(26)22-11-10-21-16-4-6-17(7-5-16)24(27)28/h3-8,13,21H,2,9-12H2,1H3,(H,22,26)
InChIKeyZGUMKVZCKILAKH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55788549) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55788549
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C20H22N4O4/c1-2-19(25)23-12-9-14-13-15(3-8-18(14)23)20(26)22-11-10-21-16-4-6-17(7-5-16)24(27)28/h3-8,13,21H,2,9-12H2,1H3,(H,22,26)
InChIKeyZGUMKVZCKILAKH-UHFFFAOYSA-N
XLogP2.74
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.74
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'}

Analyze N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308454
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787673
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308893
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111485199
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789656

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55788549) is N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZGUMKVZCKILAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-19(25)23-12-9-14-13-15(3-8-18(14)23)20(26)22-11-10-21-16-4-6-17(7-5-16)24(27)28/h3-8,13,21H,2,9-12H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55788549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).