N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide

C26H22N2O3 — CID 78319229

IUPACN-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)/C=C/c3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C26H22N2O3/c1-31-22-12-9-18(10-13-22)15-26(30)28-21-6-4-5-19(16-21)25(29)14-11-20-17-27-24-8-3-2-7-23(20)24/h2-14,16-17,27H,15H2,1H3,(H,28,30)/b14-11+
InChIKeyFOWIUBKVTCFYFR-SDNWHVSQSA-N
MW410.47 g/mol
LogP5.25
Rot. Bonds7

About N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 78319229) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID78319229
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)/C=C/c3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C26H22N2O3/c1-31-22-12-9-18(10-13-22)15-26(30)28-21-6-4-5-19(16-21)25(29)14-11-20-17-27-24-8-3-2-7-23(20)24/h2-14,16-17,27H,15H2,1H3,(H,28,30)/b14-11+
InChIKeyFOWIUBKVTCFYFR-SDNWHVSQSA-N
XLogP5.25
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.25
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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Related Compounds

2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 78319228
2-(2-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 78319230
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
tert-butyl 2-[3-[3-(1H-indol-3-yl)prop-2-enoyl]phenoxy]acetate
CID 66704709
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 78319229) is N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(C(=O)/C=C/c3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is FOWIUBKVTCFYFR-SDNWHVSQSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-31-22-12-9-18(10-13-22)15-26(30)28-21-6-4-5-19(16-21)25(29)14-11-20-17-27-24-8-3-2-7-23(20)24/h2-14,16-17,27H,15H2,1H3,(H,28,30)/b14-11+.
What are the key properties of N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 78319229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).