(2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide

C21H22N2O4 — CID 41428895

IUPAC(2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCC1(C)Cc2cccc(OCC(=O)N3c4ccccc4C[C@H]3C(N)=O)c2O1
InChIInChI=1S/C21H22N2O4/c1-21(2)11-14-7-5-9-17(19(14)27-21)26-12-18(24)23-15-8-4-3-6-13(15)10-16(23)20(22)25/h3-9,16H,10-12H2,1-2H3,(H2,22,25)/t16-/m0/s1
InChIKeyDNUAEBGHCORDQY-INIZCTEOSA-N
MW366.42 g/mol
LogP2.22
Rot. Bonds4

About (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 41428895) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID41428895
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCC1(C)Cc2cccc(OCC(=O)N3c4ccccc4C[C@H]3C(N)=O)c2O1
InChIInChI=1S/C21H22N2O4/c1-21(2)11-14-7-5-9-17(19(14)27-21)26-12-18(24)23-15-8-4-3-6-13(15)10-16(23)20(22)25/h3-9,16H,10-12H2,1-2H3,(H2,22,25)/t16-/m0/s1
InChIKeyDNUAEBGHCORDQY-INIZCTEOSA-N
XLogP2.22
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8551244
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8551121
(2S)-4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945575
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
1-(4-benzylpiperazin-4-ium-1-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
CID 8551288
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
CID 122273090
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164847
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247016
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(furan-2-yl)ethanone
CID 43412852
1-[2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55833891
(2-morpholin-4-yl-2-oxoethyl) 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855749
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113051

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide (CID 41428895) is (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide is CC1(C)Cc2cccc(OCC(=O)N3c4ccccc4C[C@H]3C(N)=O)c2O1.
What is the InChIKey of (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is DNUAEBGHCORDQY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2)11-14-7-5-9-17(19(14)27-21)26-12-18(24)23-15-8-4-3-6-13(15)10-16(23)20(22)25/h3-9,16H,10-12H2,1-2H3,(H2,22,25)/t16-/m0/s1.
What are the key properties of (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).