N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide

C18H24N2O2 — CID 11536746

IUPACN-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(C1(CNC(C)=O)CCCC1)cn2C
InChIInChI=1S/C18H24N2O2/c1-13(21)19-12-18(8-4-5-9-18)16-11-20(2)17-7-6-14(22-3)10-15(16)17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
InChIKeyKRMZWUOQJRNYHS-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.13
Rot. Bonds4

About N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide

N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide (PubChem CID 11536746) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide
PubChem CID11536746
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(C1(CNC(C)=O)CCCC1)cn2C
InChIInChI=1S/C18H24N2O2/c1-13(21)19-12-18(8-4-5-9-18)16-11-20(2)17-7-6-14(22-3)10-15(16)17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
InChIKeyKRMZWUOQJRNYHS-UHFFFAOYSA-N
XLogP3.13
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide (CID 11536746) is N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide is COc1ccc2c(c1)c(C1(CNC(C)=O)CCCC1)cn2C.
What is the InChIKey of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide?
The InChIKey is KRMZWUOQJRNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(21)19-12-18(8-4-5-9-18)16-11-20(2)17-7-6-14(22-3)10-15(16)17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide?
N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 11536746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).