1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone

C20H23NO3 — CID 134959285

IUPAC1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
SMILESCCC[C@H]1[C@@H](c2cc(C(C)=O)c(C)o2)c2ccccc2N1C(C)=O
InChIInChI=1S/C20H23NO3/c1-5-8-18-20(19-11-16(12(2)22)13(3)24-19)15-9-6-7-10-17(15)21(18)14(4)23/h6-7,9-11,18,20H,5,8H2,1-4H3/t18-,20-/m0/s1
InChIKeyIDRQCSZLBUCCGR-ICSRJNTNSA-N
MW325.41 g/mol
LogP4.46
Rot. Bonds4

About 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone

1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone (PubChem CID 134959285) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
PubChem CID134959285
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
SMILESCCC[C@H]1[C@@H](c2cc(C(C)=O)c(C)o2)c2ccccc2N1C(C)=O
InChIInChI=1S/C20H23NO3/c1-5-8-18-20(19-11-16(12(2)22)13(3)24-19)15-9-6-7-10-17(15)21(18)14(4)23/h6-7,9-11,18,20H,5,8H2,1-4H3/t18-,20-/m0/s1
InChIKeyIDRQCSZLBUCCGR-ICSRJNTNSA-N
XLogP4.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone with MolForge

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Related Compounds

2,3-Dihydroindol-1-yl-(2-methylfuran-3-yl)methanone
CID 705594
3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2955658
2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
CID 25163737
(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 896982
2-methyl-N,5-diphenyl-3-furamide
CID 716593
(2,5-Dimethylfuran-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 2366104
1-Butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2992754
4-(2,5-Dimethyl-3-furoyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3418820
(3R,4R)-4-(1-benzofuran-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 155540408
3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-methylindol-2-one
CID 5735806
N-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 646062
N-[4-(dimethylamino)phenyl]-2-methyl-5-phenyl-3-furamide
CID 748403

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone (CID 134959285) is 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone is CCC[C@H]1[C@@H](c2cc(C(C)=O)c(C)o2)c2ccccc2N1C(C)=O.
What is the InChIKey of 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
The InChIKey is IDRQCSZLBUCCGR-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-8-18-20(19-11-16(12(2)22)13(3)24-19)15-9-6-7-10-17(15)21(18)14(4)23/h6-7,9-11,18,20H,5,8H2,1-4H3/t18-,20-/m0/s1.
What are the key properties of 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone is sourced from PubChem (CID 134959285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).