2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide

C22H28N2O2 — CID 11035569

IUPAC2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide
SMILESC=C(C)[C@H]1CC=C(CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C22H28N2O2/c1-14(2)17-7-5-16(6-8-17)13-23-22(25)12-19-15(3)24-21-10-9-18(26-4)11-20(19)21/h5,9-11,17,24H,1,6-8,12-13H2,2-4H3,(H,23,25)/t17-/m0/s1
InChIKeyQWCJIBSEDAVXCQ-KRWDZBQOSA-N
MW352.48 g/mol
LogP4.45
Rot. Bonds6

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide (PubChem CID 11035569) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide
PubChem CID11035569
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide
SMILESC=C(C)[C@H]1CC=C(CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C22H28N2O2/c1-14(2)17-7-5-16(6-8-17)13-23-22(25)12-19-15(3)24-21-10-9-18(26-4)11-20(19)21/h5,9-11,17,24H,1,6-8,12-13H2,2-4H3,(H,23,25)/t17-/m0/s1
InChIKeyQWCJIBSEDAVXCQ-KRWDZBQOSA-N
XLogP4.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
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-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248
N-(1,3-benzodioxol-5-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212238
(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide
CID 10292070
1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212097
methyl 3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212219

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide (CID 11035569) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide is C=C(C)[C@H]1CC=C(CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)CC1.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide?
The InChIKey is QWCJIBSEDAVXCQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)17-7-5-16(6-8-17)13-23-22(25)12-19-15(3)24-21-10-9-18(26-4)11-20(19)21/h5,9-11,17,24H,1,6-8,12-13H2,2-4H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide?
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]acetamide is sourced from PubChem (CID 11035569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).