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

C22H24N2O3 — CID 6039978

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C22H24N2O3/c1-16-14-18-6-4-5-7-19(18)24(16)13-12-23-22(25)11-9-17-8-10-20(26-2)21(15-17)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)/b11-9+
InChIKeyYHSHNVSFZSPPTP-PKNBQFBNSA-N
MW364.45 g/mol
LogP3.80
Rot. Bonds7

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

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 6039978) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID6039978
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C22H24N2O3/c1-16-14-18-6-4-5-7-19(18)24(16)13-12-23-22(25)11-9-17-8-10-20(26-2)21(15-17)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)/b11-9+
InChIKeyYHSHNVSFZSPPTP-PKNBQFBNSA-N
XLogP3.80
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (CID 6039978) is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is YHSHNVSFZSPPTP-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-14-18-6-4-5-7-19(18)24(16)13-12-23-22(25)11-9-17-8-10-20(26-2)21(15-17)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)/b11-9+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 6039978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).