1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol

C28H32N2O3 — CID 4301414

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN(CCO)CCO
InChIInChI=1S/C28H32N2O3/c1-21-12-13-26-25(18-21)27(22-8-4-2-5-9-22)28(23-10-6-3-7-11-23)30(26)20-24(33)19-29(14-16-31)15-17-32/h2-13,18,24,31-33H,14-17,19-20H2,1H3
InChIKeyVSGKFYBBHONIJS-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.93
Rot. Bonds10

About 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol (PubChem CID 4301414) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
PubChem CID4301414
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN(CCO)CCO
InChIInChI=1S/C28H32N2O3/c1-21-12-13-26-25(18-21)27(22-8-4-2-5-9-22)28(23-10-6-3-7-11-23)30(26)20-24(33)19-29(14-16-31)15-17-32/h2-13,18,24,31-33H,14-17,19-20H2,1H3
InChIKeyVSGKFYBBHONIJS-UHFFFAOYSA-N
XLogP3.93
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol (CID 4301414) is 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The InChIKey is VSGKFYBBHONIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-21-12-13-26-25(18-21)27(22-8-4-2-5-9-22)28(23-10-6-3-7-11-23)30(26)20-24(33)19-29(14-16-31)15-17-32/h2-13,18,24,31-33H,14-17,19-20H2,1H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol has a molecular weight of 444.58 g/mol, XLogP of 3.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 4301414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).