N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide

C17H22N2O2 — CID 111471037

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)NCC3CCCC3O)c[nH]c12
InChIInChI=1S/C17H22N2O2/c1-11-4-2-6-14-13(10-19-17(11)14)8-16(21)18-9-12-5-3-7-15(12)20/h2,4,6,10,12,15,19-20H,3,5,7-9H2,1H3,(H,18,21)
InChIKeyRERCLQOJIRLYHS-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide

N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide (PubChem CID 111471037) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
PubChem CID111471037
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)NCC3CCCC3O)c[nH]c12
InChIInChI=1S/C17H22N2O2/c1-11-4-2-6-14-13(10-19-17(11)14)8-16(21)18-9-12-5-3-7-15(12)20/h2,4,6,10,12,15,19-20H,3,5,7-9H2,1H3,(H,18,21)
InChIKeyRERCLQOJIRLYHS-UHFFFAOYSA-N
XLogP2.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide (CID 111471037) is N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide is Cc1cccc2c(CC(=O)NCC3CCCC3O)c[nH]c12.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The InChIKey is RERCLQOJIRLYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-4-2-6-14-13(10-19-17(11)14)8-16(21)18-9-12-5-3-7-15(12)20/h2,4,6,10,12,15,19-20H,3,5,7-9H2,1H3,(H,18,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide has a molecular weight of 286.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 111471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).