N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

C25H32N2O3 — CID 18009478

IUPACN-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCCCC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O3/c1-3-9-23(28)27-20-14-16-25(17-15-20,19-10-5-4-6-11-19)18-26-24(29)21-12-7-8-13-22(21)30-2/h4-8,10-13,20H,3,9,14-18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZTWFYZSLDAUNEM-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.22
Rot. Bonds8

About N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (PubChem CID 18009478) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
PubChem CID18009478
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCCCC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O3/c1-3-9-23(28)27-20-14-16-25(17-15-20,19-10-5-4-6-11-19)18-26-24(29)21-12-7-8-13-22(21)30-2/h4-8,10-13,20H,3,9,14-18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZTWFYZSLDAUNEM-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (CID 18009478) is N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is CCCC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The InChIKey is ZTWFYZSLDAUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-3-9-23(28)27-20-14-16-25(17-15-20,19-10-5-4-6-11-19)18-26-24(29)21-12-7-8-13-22(21)30-2/h4-8,10-13,20H,3,9,14-18H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide has a molecular weight of 408.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butanoylamino)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 18009478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).