N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide

C19H26N2O — CID 71662594

IUPACN-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-13-10-14(2)16-12-18(21-17(16)11-13)19(22)20-15-8-6-4-3-5-7-9-15/h10-12,15,21H,3-9H2,1-2H3,(H,20,22)
InChIKeyYTDHMGDEWFURLB-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.63
Rot. Bonds2

About N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide

N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 71662594) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID71662594
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-13-10-14(2)16-12-18(21-17(16)11-13)19(22)20-15-8-6-4-3-5-7-9-15/h10-12,15,21H,3-9H2,1-2H3,(H,20,22)
InChIKeyYTDHMGDEWFURLB-UHFFFAOYSA-N
XLogP4.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide (CID 71662594) is N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1.
What is the InChIKey of N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is YTDHMGDEWFURLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-10-14(2)16-12-18(21-17(16)11-13)19(22)20-15-8-6-4-3-5-7-9-15/h10-12,15,21H,3-9H2,1-2H3,(H,20,22).
What are the key properties of N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide?
N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71662594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).