2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide

C17H20N2O2 — CID 108516838

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H20N2O2/c1-4-10-18(11-5-2)16(20)17(21)19-13(3)12-14-8-6-7-9-15(14)19/h4-9,13H,1-2,10-12H2,3H3
InChIKeyOBBQEXCBQFUPSP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide

2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide (PubChem CID 108516838) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
PubChem CID108516838
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H20N2O2/c1-4-10-18(11-5-2)16(20)17(21)19-13(3)12-14-8-6-7-9-15(14)19/h4-9,13H,1-2,10-12H2,3H3
InChIKeyOBBQEXCBQFUPSP-UHFFFAOYSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79270849
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 132673892
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N,N-bis(prop-2-enyl)benzamide
CID 2344808
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108513998
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide (CID 108516838) is 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is OBBQEXCBQFUPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-10-18(11-5-2)16(20)17(21)19-13(3)12-14-8-6-7-9-15(14)19/h4-9,13H,1-2,10-12H2,3H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 108516838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).