N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide

C21H24N2O2 — CID 139794666

IUPACN-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(-c3cc(C)c(O)c(C(C)(C)C)c3)cc2c1
InChIInChI=1S/C21H24N2O2/c1-12-8-14(10-17(20(12)25)21(3,4)5)19-11-15-9-16(22-13(2)24)6-7-18(15)23-19/h6-11,23,25H,1-5H3,(H,22,24)
InChIKeyDTSYMAWZULQDGC-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.10
Rot. Bonds2

About N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide

N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide (PubChem CID 139794666) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide
PubChem CID139794666
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(-c3cc(C)c(O)c(C(C)(C)C)c3)cc2c1
InChIInChI=1S/C21H24N2O2/c1-12-8-14(10-17(20(12)25)21(3,4)5)19-11-15-9-16(22-13(2)24)6-7-18(15)23-19/h6-11,23,25H,1-5H3,(H,22,24)
InChIKeyDTSYMAWZULQDGC-UHFFFAOYSA-N
XLogP5.10
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide (CID 139794666) is N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]c(-c3cc(C)c(O)c(C(C)(C)C)c3)cc2c1.
What is the InChIKey of N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide?
The InChIKey is DTSYMAWZULQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-12-8-14(10-17(20(12)25)21(3,4)5)19-11-15-9-16(22-13(2)24)6-7-18(15)23-19/h6-11,23,25H,1-5H3,(H,22,24).
What are the key properties of N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide?
N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 5.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 139794666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).