4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one

C24H27N3O2 — CID 69063787

IUPAC4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3ccccc3c2CCN)=C1O
InChIInChI=1S/C24H27N3O2/c1-14(2)21-23(28)20(24(29)27-21)19(15-8-4-3-5-9-15)22-17(12-13-25)16-10-6-7-11-18(16)26-22/h3-11,14,19,21,26,28H,12-13,25H2,1-2H3,(H,27,29)
InChIKeyFCFYHMYNJSKEOG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.77
Rot. Bonds6

About 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one

4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (PubChem CID 69063787) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
PubChem CID69063787
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3ccccc3c2CCN)=C1O
InChIInChI=1S/C24H27N3O2/c1-14(2)21-23(28)20(24(29)27-21)19(15-8-4-3-5-9-15)22-17(12-13-25)16-10-6-7-11-18(16)26-22/h3-11,14,19,21,26,28H,12-13,25H2,1-2H3,(H,27,29)
InChIKeyFCFYHMYNJSKEOG-UHFFFAOYSA-N
XLogP3.77
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (CID 69063787) is 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one is CC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3ccccc3c2CCN)=C1O.
What is the InChIKey of 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The InChIKey is FCFYHMYNJSKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-14(2)21-23(28)20(24(29)27-21)19(15-8-4-3-5-9-15)22-17(12-13-25)16-10-6-7-11-18(16)26-22/h3-11,14,19,21,26,28H,12-13,25H2,1-2H3,(H,27,29).
What are the key properties of 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one has a molecular weight of 389.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 69063787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).