3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide

C18H23N3O3 — CID 45208938

IUPAC3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(=O)NCCC(=O)NC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H23N3O3/c1-12(22)19-7-6-17(23)20-15-10-18(24)21(11-15)16-8-13-4-2-3-5-14(13)9-16/h2-5,15-16H,6-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyRMYZZFVUOUOAHK-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.40
Rot. Bonds5

About 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide

3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 45208938) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID45208938
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(=O)NCCC(=O)NC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H23N3O3/c1-12(22)19-7-6-17(23)20-15-10-18(24)21(11-15)16-8-13-4-2-3-5-14(13)9-16/h2-5,15-16H,6-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyRMYZZFVUOUOAHK-UHFFFAOYSA-N
XLogP0.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315426
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315427
1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea
CID 45214177
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 25381252
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45188478

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide (CID 45208938) is 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide is CC(=O)NCCC(=O)NC1CC(=O)N(C2Cc3ccccc3C2)C1.
What is the InChIKey of 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is RMYZZFVUOUOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(22)19-7-6-17(23)20-15-10-18(24)21(11-15)16-8-13-4-2-3-5-14(13)9-16/h2-5,15-16H,6-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide?
3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 45208938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).