2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide

C20H22N2O3 — CID 146316370

IUPAC2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)N(C)c2ccc3c(ccn3C)c2)c(O)cc1O
InChIInChI=1S/C20H22N2O3/c1-12(2)15-10-16(19(24)11-18(15)23)20(25)22(4)14-5-6-17-13(9-14)7-8-21(17)3/h5-12,23-24H,1-4H3
InChIKeyUYAXUFNVBZKGMO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.99
Rot. Bonds3

About 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide

2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide (PubChem CID 146316370) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide
PubChem CID146316370
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)N(C)c2ccc3c(ccn3C)c2)c(O)cc1O
InChIInChI=1S/C20H22N2O3/c1-12(2)15-10-16(19(24)11-18(15)23)20(25)22(4)14-5-6-17-13(9-14)7-8-21(17)3/h5-12,23-24H,1-4H3
InChIKeyUYAXUFNVBZKGMO-UHFFFAOYSA-N
XLogP3.99
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide (CID 146316370) is 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)N(C)c2ccc3c(ccn3C)c2)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
The InChIKey is UYAXUFNVBZKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(2)15-10-16(19(24)11-18(15)23)20(25)22(4)14-5-6-17-13(9-14)7-8-21(17)3/h5-12,23-24H,1-4H3.
What are the key properties of 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-methyl-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide is sourced from PubChem (CID 146316370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).