1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol

C25H28N2O2 — CID 23330544

IUPAC1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-25(2,14-19-15-26-23-12-6-5-10-21(19)23)27-16-20(28)17-29-24-13-7-9-18-8-3-4-11-22(18)24/h3-13,15,20,26-28H,14,16-17H2,1-2H3
InChIKeyKNPBWZXSKOFOJV-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.67
Rot. Bonds8

About 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol

1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 23330544) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID23330544
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-25(2,14-19-15-26-23-12-6-5-10-21(19)23)27-16-20(28)17-29-24-13-7-9-18-8-3-4-11-22(18)24/h3-13,15,20,26-28H,14,16-17H2,1-2H3
InChIKeyKNPBWZXSKOFOJV-UHFFFAOYSA-N
XLogP4.67
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (CID 23330544) is 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is KNPBWZXSKOFOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-25(2,14-19-15-26-23-12-6-5-10-21(19)23)27-16-20(28)17-29-24-13-7-9-18-8-3-4-11-22(18)24/h3-13,15,20,26-28H,14,16-17H2,1-2H3.
What are the key properties of 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 388.51 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 23330544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).