2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide

C16H20N2O2 — CID 103339966

IUPAC2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-8-18(9-10-20-2)16(19)11-13-12-17-15-7-5-4-6-14(13)15/h3-7,12,17H,1,8-11H2,2H3
InChIKeyXBEVVLBYWSNFOC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide

2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide (PubChem CID 103339966) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
PubChem CID103339966
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-8-18(9-10-20-2)16(19)11-13-12-17-15-7-5-4-6-14(13)15/h3-7,12,17H,1,8-11H2,2H3
InChIKeyXBEVVLBYWSNFOC-UHFFFAOYSA-N
XLogP2.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
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

2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43017580
N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 34261879
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42772115
methyl (2S)-2-[bis(prop-2-enyl)amino]-3-(1H-indol-3-yl)propanoate
CID 102183904
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
methyl 2-[2-[2-(1H-indol-3-yl)ethyl-prop-2-enylamino]-2-oxoethyl]-1,1-dioxo-2,5-dihydrothiophene-3-carboxylate
CID 10894990
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide (CID 103339966) is 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide is C=CCN(CCOC)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The InChIKey is XBEVVLBYWSNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-18(9-10-20-2)16(19)11-13-12-17-15-7-5-4-6-14(13)15/h3-7,12,17H,1,8-11H2,2H3.
What are the key properties of 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 103339966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).