N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide

C23H28N2O2 — CID 46384098

IUPACN-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCC(C)CCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1
InChIInChI=1S/C23H28N2O2/c1-17(2)13-16-24-22(27)23(14-6-15-23)19-9-11-20(12-10-19)25-21(26)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQXDSMGHTKFSFRE-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.52
Rot. Bonds7

About N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide

N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide (PubChem CID 46384098) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
PubChem CID46384098
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCC(C)CCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1
InChIInChI=1S/C23H28N2O2/c1-17(2)13-16-24-22(27)23(14-6-15-23)19-9-11-20(12-10-19)25-21(26)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQXDSMGHTKFSFRE-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50822430
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
CID 46384080
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide?
The IUPAC name of N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide (CID 46384098) is N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide?
The canonical SMILES for N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide is CC(C)CCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1.
What is the InChIKey of N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide?
The InChIKey is QXDSMGHTKFSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(2)13-16-24-22(27)23(14-6-15-23)19-9-11-20(12-10-19)25-21(26)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide?
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 46384098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).