4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide

C24H22N2O3 — CID 6539933

IUPAC4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C24H22N2O3/c1-25(24(29)18-8-12-22(28)13-9-18)16-20-14-19-4-2-3-5-23(19)26(20)15-17-6-10-21(27)11-7-17/h2-14,27-28H,15-16H2,1H3
InChIKeyCKRBUNPOJQSAOF-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.37
Rot. Bonds5

About 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide

4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide (PubChem CID 6539933) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide
PubChem CID6539933
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C24H22N2O3/c1-25(24(29)18-8-12-22(28)13-9-18)16-20-14-19-4-2-3-5-23(19)26(20)15-17-6-10-21(27)11-7-17/h2-14,27-28H,15-16H2,1H3
InChIKeyCKRBUNPOJQSAOF-UHFFFAOYSA-N
XLogP4.37
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide (CID 6539933) is 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide is CN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is CKRBUNPOJQSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-25(24(29)18-8-12-22(28)13-9-18)16-20-14-19-4-2-3-5-23(19)26(20)15-17-6-10-21(27)11-7-17/h2-14,27-28H,15-16H2,1H3.
What are the key properties of 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide?
4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 386.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 6539933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).