(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

C23H28N2O4 — CID 60599656

IUPAC(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NCCN1c2ccccc2CC1C
InChIInChI=1S/C23H28N2O4/c1-16-13-17-7-5-6-8-19(17)25(16)12-11-24-23(26)10-9-18-14-21(28-3)22(29-4)15-20(18)27-2/h5-10,14-16H,11-13H2,1-4H3,(H,24,26)/b10-9+
InChIKeyXTEVSEROTHUYHV-MDZDMXLPSA-N
MW396.49 g/mol
LogP3.29
Rot. Bonds8

About (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 60599656) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID60599656
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NCCN1c2ccccc2CC1C
InChIInChI=1S/C23H28N2O4/c1-16-13-17-7-5-6-8-19(17)25(16)12-11-24-23(26)10-9-18-14-21(28-3)22(29-4)15-20(18)27-2/h5-10,14-16H,11-13H2,1-4H3,(H,24,26)/b10-9+
InChIKeyXTEVSEROTHUYHV-MDZDMXLPSA-N
XLogP3.29
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]prop-2-enamide
CID 76871711
3-(3,5-dimethoxyphenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599544
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111202882
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 78885927
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
2-[(3-methoxyphenyl)methoxy]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599675
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (CID 60599656) is (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)NCCN1c2ccccc2CC1C.
What is the InChIKey of (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is XTEVSEROTHUYHV-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-13-17-7-5-6-8-19(17)25(16)12-11-24-23(26)10-9-18-14-21(28-3)22(29-4)15-20(18)27-2/h5-10,14-16H,11-13H2,1-4H3,(H,24,26)/b10-9+.
What are the key properties of (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 60599656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).