N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide

C20H24N4O — CID 77014324

IUPACN-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide
SMILESNNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)
InChIKeyCNNYHADOXZEXJH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.14
Rot. Bonds8

About N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide

N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 77014324) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide
PubChem CID77014324
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide
SMILESNNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)
InChIKeyCNNYHADOXZEXJH-UHFFFAOYSA-N
XLogP3.14
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide (CID 77014324) is N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide is NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is CNNYHADOXZEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25).
What are the key properties of N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide?
N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 336.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 77014324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).