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

C24H29N3O2 — CID 90677073

IUPAC(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C24H29N3O2/c1-19-18-21-6-4-5-7-23(21)27(19)15-14-25-24(28)13-10-20-8-11-22(12-9-20)29-17-16-26(2)3/h4-13,18H,14-17H2,1-3H3,(H,25,28)/b13-10+
InChIKeyDTZMGDGIQRGLRC-JLHYYAGUSA-N
MW391.52 g/mol
LogP3.72
Rot. Bonds9

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

(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 90677073) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID90677073
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C24H29N3O2/c1-19-18-21-6-4-5-7-23(21)27(19)15-14-25-24(28)13-10-20-8-11-22(12-9-20)29-17-16-26(2)3/h4-13,18H,14-17H2,1-3H3,(H,25,28)/b13-10+
InChIKeyDTZMGDGIQRGLRC-JLHYYAGUSA-N
XLogP3.72
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

GR 46611
CID 6160690
TG4-155
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N-{4-[3-(9H-carbazol-9-yl)-2-hydroxypropoxy]phenyl}acetamide
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(1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)methanone
CID 27842480
US20250114338, Example 215
CID 121410605
US20250114338, Example 104
CID 121410617
US20250114338, Example 218
CID 121410701
US20250114338, Example 103
CID 121410729
US20250114338, Example 159
CID 121410763
US20250114338, Example 138
CID 121410959
US20250114338, Example 222
CID 121410977
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (CID 90677073) is (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is Cc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCN(C)C)cc1.
What is the InChIKey of (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is DTZMGDGIQRGLRC-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-18-21-6-4-5-7-23(21)27(19)15-14-25-24(28)13-10-20-8-11-22(12-9-20)29-17-16-26(2)3/h4-13,18H,14-17H2,1-3H3,(H,25,28)/b13-10+.
What are the key properties of (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 391.52 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 90677073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).