N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C24H28N4O3 — CID 55650702

IUPACN-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCCc1ccc(C(=O)NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1
InChIInChI=1S/C24H28N4O3/c1-4-16-9-11-17(12-10-16)23(30)27-28-24(31)21(26-22(29)15(2)3)13-18-14-25-20-8-6-5-7-19(18)20/h5-12,14-15,21,25H,4,13H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyLNSXSKXIGKJYPE-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.87
Rot. Bonds7

About N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 55650702) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID55650702
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCCc1ccc(C(=O)NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1
InChIInChI=1S/C24H28N4O3/c1-4-16-9-11-17(12-10-16)23(30)27-28-24(31)21(26-22(29)15(2)3)13-18-14-25-20-8-6-5-7-19(18)20/h5-12,14-15,21,25H,4,13H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyLNSXSKXIGKJYPE-UHFFFAOYSA-N
XLogP2.87
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 24539135
N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55652089
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25478052
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 55650702) is N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CCc1ccc(C(=O)NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1.
What is the InChIKey of N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is LNSXSKXIGKJYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-16-9-11-17(12-10-16)23(30)27-28-24(31)21(26-22(29)15(2)3)13-18-14-25-20-8-6-5-7-19(18)20/h5-12,14-15,21,25H,4,13H2,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 420.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55650702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).