N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide

C19H26N2O2 — CID 58011287

IUPACN-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCC1CCCCCC1)c1cn(CCO)c2ccccc12
InChIInChI=1S/C19H26N2O2/c22-12-11-21-14-17(16-9-5-6-10-18(16)21)19(23)20-13-15-7-3-1-2-4-8-15/h5-6,9-10,14-15,22H,1-4,7-8,11-13H2,(H,20,23)
InChIKeyMYBCCWNSOWQCCF-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.33
Rot. Bonds5

About N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide

N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide (PubChem CID 58011287) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
PubChem CID58011287
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCC1CCCCCC1)c1cn(CCO)c2ccccc12
InChIInChI=1S/C19H26N2O2/c22-12-11-21-14-17(16-9-5-6-10-18(16)21)19(23)20-13-15-7-3-1-2-4-8-15/h5-6,9-10,14-15,22H,1-4,7-8,11-13H2,(H,20,23)
InChIKeyMYBCCWNSOWQCCF-UHFFFAOYSA-N
XLogP3.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
The IUPAC name of N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide (CID 58011287) is N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide.
What is the SMILES notation for N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
The canonical SMILES for N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide is O=C(NCC1CCCCCC1)c1cn(CCO)c2ccccc12.
What is the InChIKey of N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
The InChIKey is MYBCCWNSOWQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-12-11-21-14-17(16-9-5-6-10-18(16)21)19(23)20-13-15-7-3-1-2-4-8-15/h5-6,9-10,14-15,22H,1-4,7-8,11-13H2,(H,20,23).
What are the key properties of N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-1-(2-hydroxyethyl)indole-3-carboxamide is sourced from PubChem (CID 58011287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).