N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide

C16H22N2O2 — CID 11587169

IUPACN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide
SMILESCOc1ccc2c(c1)c(C(C)(C)CNC(C)=O)cn2C
InChIInChI=1S/C16H22N2O2/c1-11(19)17-10-16(2,3)14-9-18(4)15-7-6-12(20-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,17,19)
InChIKeyZSIPGILAUKWEQQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide

N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide (PubChem CID 11587169) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide
PubChem CID11587169
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide
SMILESCOc1ccc2c(c1)c(C(C)(C)CNC(C)=O)cn2C
InChIInChI=1S/C16H22N2O2/c1-11(19)17-10-16(2,3)14-9-18(4)15-7-6-12(20-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,17,19)
InChIKeyZSIPGILAUKWEQQ-UHFFFAOYSA-N
XLogP2.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide (CID 11587169) is N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide is COc1ccc2c(c1)c(C(C)(C)CNC(C)=O)cn2C.
What is the InChIKey of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide?
The InChIKey is ZSIPGILAUKWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)17-10-16(2,3)14-9-18(4)15-7-6-12(20-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,17,19).
What are the key properties of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide?
N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 11587169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).