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

C22H24N2O2 — CID 31888596

IUPACN-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccc(CN(C)C(=O)Cc2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-4-13-26-18-11-9-17(10-12-18)15-24(3)22(25)14-20-16(2)23-21-8-6-5-7-19(20)21/h4-12,23H,1,13-15H2,2-3H3
InChIKeyPGENPBHKWQRMLX-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.24
Rot. Bonds7

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

N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 31888596) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID31888596
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccc(CN(C)C(=O)Cc2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-4-13-26-18-11-9-17(10-12-18)15-24(3)22(25)14-20-16(2)23-21-8-6-5-7-19(20)21/h4-12,23H,1,13-15H2,2-3H3
InChIKeyPGENPBHKWQRMLX-UHFFFAOYSA-N
XLogP4.24
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 9417568
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31960924
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
(E)-4-(2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 116866024
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 35688068
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide (CID 31888596) is N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1ccc(CN(C)C(=O)Cc2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is PGENPBHKWQRMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-13-26-18-11-9-17(10-12-18)15-24(3)22(25)14-20-16(2)23-21-8-6-5-7-19(20)21/h4-12,23H,1,13-15H2,2-3H3.
What are the key properties of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 31888596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).