1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone

C21H26N2O4 — CID 42589657

IUPAC1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone
SMILESCCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CNCc3ccco3)ccc21
InChIInChI=1S/C21H26N2O4/c1-4-23-14(2)21(15(3)24)19-10-17(7-8-20(19)23)27-13-16(25)11-22-12-18-6-5-9-26-18/h5-10,16,22,25H,4,11-13H2,1-3H3/t16-/m0/s1
InChIKeyVDBQJTUXPDSCJV-INIZCTEOSA-N
MW370.45 g/mol
LogP3.29
Rot. Bonds9

About 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone

1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone (PubChem CID 42589657) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone
PubChem CID42589657
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone
SMILESCCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CNCc3ccco3)ccc21
InChIInChI=1S/C21H26N2O4/c1-4-23-14(2)21(15(3)24)19-10-17(7-8-20(19)23)27-13-16(25)11-22-12-18-6-5-9-26-18/h5-10,16,22,25H,4,11-13H2,1-3H3/t16-/m0/s1
InChIKeyVDBQJTUXPDSCJV-INIZCTEOSA-N
XLogP3.29
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone with MolForge

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Related Compounds

1-[5-[(2S)-3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-2-methylindol-3-yl]ethanone
CID 42589687
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
ethyl 1-benzyl-5-[(2S)-3-(benzylamino)-2-hydroxypropoxy]-2-methylindole-3-carboxylate
CID 1235049
7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 5045919
(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583856
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
ethyl 5-[(2R)-3-(benzylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 1180098
1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 1490629
5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
CID 175187274

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone (CID 42589657) is 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone is CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CNCc3ccco3)ccc21.
What is the InChIKey of 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone?
The InChIKey is VDBQJTUXPDSCJV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-23-14(2)21(15(3)24)19-10-17(7-8-20(19)23)27-13-16(25)11-22-12-18-6-5-9-26-18/h5-10,16,22,25H,4,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone?
1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 42589657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).