3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide

C25H23N3O2 — CID 70052793

IUPAC3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide
SMILESNCCc1cn(CCC(N)=O)c2ccc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C25H23N3O2/c26-12-10-17-15-28(13-11-24(27)29)22-9-8-16(14-21(17)22)18-5-3-6-20-19-4-1-2-7-23(19)30-25(18)20/h1-9,14-15H,10-13,26H2,(H2,27,29)
InChIKeySHHRQRYCCSVVEY-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.58
Rot. Bonds6

About 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide

3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide (PubChem CID 70052793) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide
PubChem CID70052793
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide
SMILESNCCc1cn(CCC(N)=O)c2ccc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C25H23N3O2/c26-12-10-17-15-28(13-11-24(27)29)22-9-8-16(14-21(17)22)18-5-3-6-20-19-4-1-2-7-23(19)30-25(18)20/h1-9,14-15H,10-13,26H2,(H2,27,29)
InChIKeySHHRQRYCCSVVEY-UHFFFAOYSA-N
XLogP4.58
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride
CID 70053279
2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzonitrile;hydrochloride
CID 70053840
2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine
CID 70054414
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
N-(3-dibenzofuran-4-ylphenoxy)acetamide
CID 90962511
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide?
The IUPAC name of 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide (CID 70052793) is 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide.
What is the SMILES notation for 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide?
The canonical SMILES for 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide is NCCc1cn(CCC(N)=O)c2ccc(-c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide?
The InChIKey is SHHRQRYCCSVVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-12-10-17-15-28(13-11-24(27)29)22-9-8-16(14-21(17)22)18-5-3-6-20-19-4-1-2-7-23(19)30-25(18)20/h1-9,14-15H,10-13,26H2,(H2,27,29).
What are the key properties of 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide?
3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide is sourced from PubChem (CID 70052793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).