N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide

C20H20N4O2 — CID 74435227

IUPACN-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
SMILESCC(=O)NCCN(C(=O)C=Cc1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-15(25)21-13-14-24(16-7-3-2-4-8-16)20(26)12-11-19-17-9-5-6-10-18(17)22-23-19/h2-12H,13-14H2,1H3,(H,21,25)(H,22,23)
InChIKeyFWMQAHILNWFJEK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.75
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide

N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide (PubChem CID 74435227) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
PubChem CID74435227
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
SMILESCC(=O)NCCN(C(=O)C=Cc1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-15(25)21-13-14-24(16-7-3-2-4-8-16)20(26)12-11-19-17-9-5-6-10-18(17)22-23-19/h2-12H,13-14H2,1H3,(H,21,25)(H,22,23)
InChIKeyFWMQAHILNWFJEK-UHFFFAOYSA-N
XLogP2.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide (CID 74435227) is N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide is CC(=O)NCCN(C(=O)C=Cc1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
The InChIKey is FWMQAHILNWFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(25)21-13-14-24(16-7-3-2-4-8-16)20(26)12-11-19-17-9-5-6-10-18(17)22-23-19/h2-12H,13-14H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 74435227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).