N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide

C24H34N2O2 — CID 142109984

IUPACN-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide
SMILESC=C(C(NC(=O)CC(C)(C)C)C1Cc2ccccc2C1)N1CCCC1C(C)=O
InChIInChI=1S/C24H34N2O2/c1-16(26-12-8-11-21(26)17(2)27)23(25-22(28)15-24(3,4)5)20-13-18-9-6-7-10-19(18)14-20/h6-7,9-10,20-21,23H,1,8,11-15H2,2-5H3,(H,25,28)
InChIKeyWRNQUGXHTPNMKZ-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide

N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide (PubChem CID 142109984) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide
PubChem CID142109984
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide
SMILESC=C(C(NC(=O)CC(C)(C)C)C1Cc2ccccc2C1)N1CCCC1C(C)=O
InChIInChI=1S/C24H34N2O2/c1-16(26-12-8-11-21(26)17(2)27)23(25-22(28)15-24(3,4)5)20-13-18-9-6-7-10-19(18)14-20/h6-7,9-10,20-21,23H,1,8,11-15H2,2-5H3,(H,25,28)
InChIKeyWRNQUGXHTPNMKZ-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetylpyrrolidin-1-yl)-2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylhex-1-en-2-ylamino)ethanone
CID 143351160
tert-butyl N-[2-[(2S)-2-acetylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
CID 163716658
1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone
CID 142882538
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
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-(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
(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
tert-butyl N-[(2S)-1-[(2S)-2-acetylpyrrolidin-1-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 142698252
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
(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
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
CID 155052755

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide (CID 142109984) is N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide is C=C(C(NC(=O)CC(C)(C)C)C1Cc2ccccc2C1)N1CCCC1C(C)=O.
What is the InChIKey of N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide?
The InChIKey is WRNQUGXHTPNMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-16(26-12-8-11-21(26)17(2)27)23(25-22(28)15-24(3,4)5)20-13-18-9-6-7-10-19(18)14-20/h6-7,9-10,20-21,23H,1,8,11-15H2,2-5H3,(H,25,28).
What are the key properties of N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide?
N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide has a molecular weight of 382.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 142109984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).