4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol

C23H24N2O3 — CID 155532544

IUPAC4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
SMILESCOc1ccc2[nH]cc(CC(C)NCc3ccc(-c4ccc(O)cc4)o3)c2c1
InChIInChI=1S/C23H24N2O3/c1-15(11-17-13-25-22-9-7-19(27-2)12-21(17)22)24-14-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,12-13,15,24-26H,11,14H2,1-2H3
InChIKeyCZYILNNHLGIGSE-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.86
Rot. Bonds7

About 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol

4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol (PubChem CID 155532544) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
PubChem CID155532544
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
SMILESCOc1ccc2[nH]cc(CC(C)NCc3ccc(-c4ccc(O)cc4)o3)c2c1
InChIInChI=1S/C23H24N2O3/c1-15(11-17-13-25-22-9-7-19(27-2)12-21(17)22)24-14-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,12-13,15,24-26H,11,14H2,1-2H3
InChIKeyCZYILNNHLGIGSE-UHFFFAOYSA-N
XLogP4.86
TPSA70.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol (CID 155532544) is 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol is COc1ccc2[nH]cc(CC(C)NCc3ccc(-c4ccc(O)cc4)o3)c2c1.
What is the InChIKey of 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
The InChIKey is CZYILNNHLGIGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(11-17-13-25-22-9-7-19(27-2)12-21(17)22)24-14-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,12-13,15,24-26H,11,14H2,1-2H3.
What are the key properties of 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol?
4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol has a molecular weight of 376.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155532544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).