N-(1-adamantyl)-1H-indole-3-carboxamide

C19H22N2O — CID 84820114

IUPACN-(1-adamantyl)-1H-indole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c22-18(16-11-20-17-4-2-1-3-15(16)17)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14,20H,5-10H2,(H,21,22)
InChIKeyUSXAVHMFDXOJPO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.87
Rot. Bonds2

About N-(1-adamantyl)-1H-indole-3-carboxamide

N-(1-adamantyl)-1H-indole-3-carboxamide (PubChem CID 84820114) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1-adamantyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1H-indole-3-carboxamide
PubChem CID84820114
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(1-adamantyl)-1H-indole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c22-18(16-11-20-17-4-2-1-3-15(16)17)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14,20H,5-10H2,(H,21,22)
InChIKeyUSXAVHMFDXOJPO-UHFFFAOYSA-N
XLogP3.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1H-indole-3-carboxamide (CID 84820114) is N-(1-adamantyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1H-indole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1H-indole-3-carboxamide?
The InChIKey is USXAVHMFDXOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-18(16-11-20-17-4-2-1-3-15(16)17)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14,20H,5-10H2,(H,21,22).
What are the key properties of N-(1-adamantyl)-1H-indole-3-carboxamide?
N-(1-adamantyl)-1H-indole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 84820114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).