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

C21H24N2O3 — CID 146316415

IUPACN-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C21H24N2O3/c1-5-23(15-6-7-18-14(10-15)8-9-22(18)4)21(26)17-11-16(13(2)3)19(24)12-20(17)25/h6-13,24-25H,5H2,1-4H3
InChIKeyLYTRVOGLHGXEIY-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.38
Rot. Bonds4

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

N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide (PubChem CID 146316415) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide
PubChem CID146316415
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C21H24N2O3/c1-5-23(15-6-7-18-14(10-15)8-9-22(18)4)21(26)17-11-16(13(2)3)19(24)12-20(17)25/h6-13,24-25H,5H2,1-4H3
InChIKeyLYTRVOGLHGXEIY-UHFFFAOYSA-N
XLogP4.38
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide (CID 146316415) is N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide is CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc2c(ccn2C)c1.
What is the InChIKey of N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
The InChIKey is LYTRVOGLHGXEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-5-23(15-6-7-18-14(10-15)8-9-22(18)4)21(26)17-11-16(13(2)3)19(24)12-20(17)25/h6-13,24-25H,5H2,1-4H3.
What are the key properties of N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide?
N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dihydroxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide is sourced from PubChem (CID 146316415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).