N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide

C17H22N2O2 — CID 111485881

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1(O)CCCCC1
InChIInChI=1S/C17H22N2O2/c20-16(18-13-17(21)9-4-1-5-10-17)12-19-11-8-14-6-2-3-7-15(14)19/h2-3,6-8,11,21H,1,4-5,9-10,12-13H2,(H,18,20)
InChIKeyFPECIYYIAAMJMM-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.45
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide

N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide (PubChem CID 111485881) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
PubChem CID111485881
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1(O)CCCCC1
InChIInChI=1S/C17H22N2O2/c20-16(18-13-17(21)9-4-1-5-10-17)12-19-11-8-14-6-2-3-7-15(14)19/h2-3,6-8,11,21H,1,4-5,9-10,12-13H2,(H,18,20)
InChIKeyFPECIYYIAAMJMM-UHFFFAOYSA-N
XLogP2.45
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989531
N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989714
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445865
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
CID 91829817
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide (CID 111485881) is N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide?
The InChIKey is FPECIYYIAAMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(18-13-17(21)9-4-1-5-10-17)12-19-11-8-14-6-2-3-7-15(14)19/h2-3,6-8,11,21H,1,4-5,9-10,12-13H2,(H,18,20).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide has a molecular weight of 286.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 111485881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).