N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide

C23H28N2O2 — CID 10594954

IUPACN-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-17-12-14-20(24-22(26)15-13-18-8-4-2-5-9-18)16-21(17)25-23(27)19-10-6-3-7-11-19/h3,6-7,10-12,14,16,18H,2,4-5,8-9,13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyGSMUWBHZARSZAD-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.55
Rot. Bonds6

About N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide

N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide (PubChem CID 10594954) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide
PubChem CID10594954
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-17-12-14-20(24-22(26)15-13-18-8-4-2-5-9-18)16-21(17)25-23(27)19-10-6-3-7-11-19/h3,6-7,10-12,14,16,18H,2,4-5,8-9,13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyGSMUWBHZARSZAD-UHFFFAOYSA-N
XLogP5.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide?
The IUPAC name of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide (CID 10594954) is N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide.
What is the SMILES notation for N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide?
The canonical SMILES for N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide is Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide?
The InChIKey is GSMUWBHZARSZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-12-14-20(24-22(26)15-13-18-8-4-2-5-9-18)16-21(17)25-23(27)19-10-6-3-7-11-19/h3,6-7,10-12,14,16,18H,2,4-5,8-9,13,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide?
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]benzamide is sourced from PubChem (CID 10594954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).