(E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

C22H24N2O3 — CID 90677065

IUPAC(E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCO)cc1
InChIInChI=1S/C22H24N2O3/c1-17-16-19-4-2-3-5-21(19)24(17)13-12-23-22(26)11-8-18-6-9-20(10-7-18)27-15-14-25/h2-11,16,25H,12-15H2,1H3,(H,23,26)/b11-8+
InChIKeyORWWOXBRAYOKKZ-DHZHZOJOSA-N
MW364.45 g/mol
LogP3.15
Rot. Bonds8

About (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

(E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 90677065) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID90677065
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCO)cc1
InChIInChI=1S/C22H24N2O3/c1-17-16-19-4-2-3-5-21(19)24(17)13-12-23-22(26)11-8-18-6-9-20(10-7-18)27-15-14-25/h2-11,16,25H,12-15H2,1H3,(H,23,26)/b11-8+
InChIKeyORWWOXBRAYOKKZ-DHZHZOJOSA-N
XLogP3.15
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (CID 90677065) is (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is Cc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCO)cc1.
What is the InChIKey of (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is ORWWOXBRAYOKKZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-17-16-19-4-2-3-5-21(19)24(17)13-12-23-22(26)11-8-18-6-9-20(10-7-18)27-15-14-25/h2-11,16,25H,12-15H2,1H3,(H,23,26)/b11-8+.
What are the key properties of (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-hydroxyethoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 90677065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).