N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide

C19H26N2O2 — CID 57481108

IUPACN-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide
SMILESCC1(C)CC(O)CC(C)(CNC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C19H26N2O2/c1-18(2)9-15(22)10-19(3,11-18)12-21-17(23)14-4-5-16-13(8-14)6-7-20-16/h4-8,15,20,22H,9-12H2,1-3H3,(H,21,23)
InChIKeyURGWKIHKPADQEK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.47
Rot. Bonds3

About N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide

N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide (PubChem CID 57481108) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide
PubChem CID57481108
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide
SMILESCC1(C)CC(O)CC(C)(CNC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C19H26N2O2/c1-18(2)9-15(22)10-19(3,11-18)12-21-17(23)14-4-5-16-13(8-14)6-7-20-16/h4-8,15,20,22H,9-12H2,1-3H3,(H,21,23)
InChIKeyURGWKIHKPADQEK-UHFFFAOYSA-N
XLogP3.47
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-indole-5-carboxamide
CID 79698493
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-(4-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 115759610
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide (CID 57481108) is N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide is CC1(C)CC(O)CC(C)(CNC(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide?
The InChIKey is URGWKIHKPADQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-18(2)9-15(22)10-19(3,11-18)12-21-17(23)14-4-5-16-13(8-14)6-7-20-16/h4-8,15,20,22H,9-12H2,1-3H3,(H,21,23).
What are the key properties of N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide?
N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 57481108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).