N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide

C20H30N2O2 — CID 110201049

IUPACN-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
SMILESCN1CCCCCC(O)c2cc(C(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C20H30N2O2/c1-22-13-7-3-6-10-19(23)17-14-15(11-12-18(17)22)20(24)21-16-8-4-2-5-9-16/h11-12,14,16,19,23H,2-10,13H2,1H3,(H,21,24)
InChIKeySGSWUZCMDJXDFA-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.79
Rot. Bonds2

About N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide

N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide (PubChem CID 110201049) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
PubChem CID110201049
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
SMILESCN1CCCCCC(O)c2cc(C(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C20H30N2O2/c1-22-13-7-3-6-10-19(23)17-14-15(11-12-18(17)22)20(24)21-16-8-4-2-5-9-16/h11-12,14,16,19,23H,2-10,13H2,1H3,(H,21,24)
InChIKeySGSWUZCMDJXDFA-UHFFFAOYSA-N
XLogP3.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
The IUPAC name of N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide (CID 110201049) is N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
The canonical SMILES for N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide is CN1CCCCCC(O)c2cc(C(=O)NC3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
The InChIKey is SGSWUZCMDJXDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-22-13-7-3-6-10-19(23)17-14-15(11-12-18(17)22)20(24)21-16-8-4-2-5-9-16/h11-12,14,16,19,23H,2-10,13H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide is sourced from PubChem (CID 110201049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).