2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide

C24H30N2O3 — CID 18009522

IUPAC2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide
SMILESCCC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-3-22(27)26-19-13-15-24(16-14-19,18-9-5-4-6-10-18)17-25-23(28)20-11-7-8-12-21(20)29-2/h4-12,19H,3,13-17H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYMTRBVAUCZRCRY-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.83
Rot. Bonds7

About 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide

2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide (PubChem CID 18009522) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide
PubChem CID18009522
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide
SMILESCCC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-3-22(27)26-19-13-15-24(16-14-19,18-9-5-4-6-10-18)17-25-23(28)20-11-7-8-12-21(20)29-2/h4-12,19H,3,13-17H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYMTRBVAUCZRCRY-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide (CID 18009522) is 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide is CCC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide?
The InChIKey is YMTRBVAUCZRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-22(27)26-19-13-15-24(16-14-19,18-9-5-4-6-10-18)17-25-23(28)20-11-7-8-12-21(20)29-2/h4-12,19H,3,13-17H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide?
2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-phenyl-4-(propanoylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 18009522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).