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

C18H24N2O — CID 71662593

IUPACN-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCCCCC3)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)18(21)19-14-7-5-3-4-6-8-14/h9-11,14,20H,3-8H2,1-2H3,(H,19,21)
InChIKeyANRDRZQBFPDAJD-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.24
Rot. Bonds2

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

N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 71662593) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID71662593
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCCCCC3)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)18(21)19-14-7-5-3-4-6-8-14/h9-11,14,20H,3-8H2,1-2H3,(H,19,21)
InChIKeyANRDRZQBFPDAJD-UHFFFAOYSA-N
XLogP4.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide (CID 71662593) is N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CCCCCC3)[nH]c2c1.
What is the InChIKey of N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is ANRDRZQBFPDAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)18(21)19-14-7-5-3-4-6-8-14/h9-11,14,20H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide?
N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71662593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).