2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide

C32H40N2O6 — CID 59289814

IUPAC2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(CCN(C)C(=O)C1CCCCC1(O)C(=O)c1ccccc1)C(=O)C1CCCCC1(O)C(=O)c1ccccc1
InChIInChI=1S/C32H40N2O6/c1-33(29(37)25-17-9-11-19-31(25,39)27(35)23-13-5-3-6-14-23)21-22-34(2)30(38)26-18-10-12-20-32(26,40)28(36)24-15-7-4-8-16-24/h3-8,13-16,25-26,39-40H,9-12,17-22H2,1-2H3
InChIKeyCYQITOBVDBDBPG-UHFFFAOYSA-N
MW548.68 g/mol
LogP3.51
Rot. Bonds9

About 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide

2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 59289814) has the molecular formula C32H40N2O6 and a molecular weight of 548.68 g/mol. Its IUPAC name is 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID59289814
Molecular FormulaC32H40N2O6
Molecular Weight548.68 g/mol
Exact Mass548.29
IUPAC Name2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(CCN(C)C(=O)C1CCCCC1(O)C(=O)c1ccccc1)C(=O)C1CCCCC1(O)C(=O)c1ccccc1
InChIInChI=1S/C32H40N2O6/c1-33(29(37)25-17-9-11-19-31(25,39)27(35)23-13-5-3-6-14-23)21-22-34(2)30(38)26-18-10-12-20-32(26,40)28(36)24-15-7-4-8-16-24/h3-8,13-16,25-26,39-40H,9-12,17-22H2,1-2H3
InChIKeyCYQITOBVDBDBPG-UHFFFAOYSA-N
XLogP3.51
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.68
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide (CID 59289814) is 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide is CN(CCN(C)C(=O)C1CCCCC1(O)C(=O)c1ccccc1)C(=O)C1CCCCC1(O)C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is CYQITOBVDBDBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O6/c1-33(29(37)25-17-9-11-19-31(25,39)27(35)23-13-5-3-6-14-23)21-22-34(2)30(38)26-18-10-12-20-32(26,40)28(36)24-15-7-4-8-16-24/h3-8,13-16,25-26,39-40H,9-12,17-22H2,1-2H3.
What are the key properties of 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide?
2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 548.68 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 59289814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).