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

C19H22N4O — CID 77014322

IUPACN-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESNNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4O/c20-22-12-11-14-5-8-16(9-6-14)23-19(24)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12,20H2,(H,23,24)
InChIKeyQXVLHKVUKPFJAL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.74
Rot. Bonds7

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

N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 77014322) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID77014322
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESNNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4O/c20-22-12-11-14-5-8-16(9-6-14)23-19(24)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12,20H2,(H,23,24)
InChIKeyQXVLHKVUKPFJAL-UHFFFAOYSA-N
XLogP2.74
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.74
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]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide (CID 77014322) is N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide is NNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is QXVLHKVUKPFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-22-12-11-14-5-8-16(9-6-14)23-19(24)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12,20H2,(H,23,24).
What are the key properties of N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
N-[4-(2-hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.74, 7 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]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 77014322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).