1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone

C25H36N2O2 — CID 143351160

IUPAC1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone
SMILESC=C(CC(C)(C)CC)NC(C(=O)N1CCCC1C(C)=O)C1Cc2ccccc2C1
InChIInChI=1S/C25H36N2O2/c1-6-25(4,5)16-17(2)26-23(21-14-19-10-7-8-11-20(19)15-21)24(29)27-13-9-12-22(27)18(3)28/h7-8,10-11,21-23,26H,2,6,9,12-16H2,1,3-5H3
InChIKeyFDXOZTJGIFNEAC-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.28
Rot. Bonds8

About 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone

1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone (PubChem CID 143351160) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone
PubChem CID143351160
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone
SMILESC=C(CC(C)(C)CC)NC(C(=O)N1CCCC1C(C)=O)C1Cc2ccccc2C1
InChIInChI=1S/C25H36N2O2/c1-6-25(4,5)16-17(2)26-23(21-14-19-10-7-8-11-20(19)15-21)24(29)27-13-9-12-22(27)18(3)28/h7-8,10-11,21-23,26H,2,6,9,12-16H2,1,3-5H3
InChIKeyFDXOZTJGIFNEAC-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2S)-2-acetylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
CID 163716658
N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide
CID 142109984
2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone
CID 143350895
(2S)-1-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropanoylamino)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide
CID 58263020
tert-butyl N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hex-5-en-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 58262892
methyl N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]carbamate
CID 129192718
(2S)-1-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-3-methyl-1-(propan-2-ylcarbamoyloxy)butan-2-yl]carbamoylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 70858926
(2S)-1-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-(propan-2-ylcarbamoylamino)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]pyrrolidine-2-carboxamide
CID 58263212
tert-butyl N-[(2S)-1-[(2S)-2-acetylpyrrolidin-1-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 142698252
tert-butyl N-[1-(2-acetylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;propane
CID 142573065
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
CID 155052755
(2S)-1-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[(2-phenylacetyl)amino]acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide
CID 58262648

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone?
The IUPAC name of 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone (CID 143351160) is 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone?
The canonical SMILES for 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone is C=C(CC(C)(C)CC)NC(C(=O)N1CCCC1C(C)=O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone?
The InChIKey is FDXOZTJGIFNEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-6-25(4,5)16-17(2)26-23(21-14-19-10-7-8-11-20(19)15-21)24(29)27-13-9-12-22(27)18(3)28/h7-8,10-11,21-23,26H,2,6,9,12-16H2,1,3-5H3.
What are the key properties of 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone?
1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone has a molecular weight of 396.58 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone is sourced from PubChem (CID 143351160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).