3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide

C22H24N2O2 — CID 31180102

IUPAC3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
SMILESC=CCOc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-3-14-26-19-11-8-17(9-12-19)16-24(2)22(25)13-10-18-15-23-21-7-5-4-6-20(18)21/h3-9,11-12,15,23H,1,10,13-14,16H2,2H3
InChIKeySHEDYIIBNKCPHU-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.32
Rot. Bonds8

About 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide

3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide (PubChem CID 31180102) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
PubChem CID31180102
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
SMILESC=CCOc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-3-14-26-19-11-8-17(9-12-19)16-24(2)22(25)13-10-18-15-23-21-7-5-4-6-20(18)21/h3-9,11-12,15,23H,1,10,13-14,16H2,2H3
InChIKeySHEDYIIBNKCPHU-UHFFFAOYSA-N
XLogP4.32
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659253
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 31888596
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2475782
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 9417568
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide (CID 31180102) is 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide is C=CCOc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
The InChIKey is SHEDYIIBNKCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-14-26-19-11-8-17(9-12-19)16-24(2)22(25)13-10-18-15-23-21-7-5-4-6-20(18)21/h3-9,11-12,15,23H,1,10,13-14,16H2,2H3.
What are the key properties of 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide is sourced from PubChem (CID 31180102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).