2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide

C21H24N2O2 — CID 25377422

IUPAC2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O
InChIInChI=1S/C21H24N2O2/c1-3-12-22-20(25)13-17-15(2)23(14-16-8-5-4-6-9-16)18-10-7-11-19(24)21(17)18/h3-6,8-9H,1,7,10-14H2,2H3,(H,22,25)
InChIKeyHKZKPCAPARKFSI-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.21
Rot. Bonds6

About 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide (PubChem CID 25377422) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
PubChem CID25377422
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O
InChIInChI=1S/C21H24N2O2/c1-3-12-22-20(25)13-17-15(2)23(14-16-8-5-4-6-9-16)18-10-7-11-19(24)21(17)18/h3-6,8-9H,1,7,10-14H2,2H3,(H,22,25)
InChIKeyHKZKPCAPARKFSI-UHFFFAOYSA-N
XLogP3.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
CID 45213080
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 42150870
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45194016
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 25292460
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)acetamide
CID 72872463
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 26394326
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 45244211
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride
CID 154900219
2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide
CID 42403520
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42190267
2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 26394887

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide (CID 25377422) is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O.
What is the InChIKey of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide?
The InChIKey is HKZKPCAPARKFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-12-22-20(25)13-17-15(2)23(14-16-8-5-4-6-9-16)18-10-7-11-19(24)21(17)18/h3-6,8-9H,1,7,10-14H2,2H3,(H,22,25).
What are the key properties of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide?
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide has a molecular weight of 336.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 25377422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).