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

C23H28N2O2 — CID 50822430

IUPAC3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-16(2)11-14-24-22(27)23(12-13-23)19-7-9-20(10-8-19)25-21(26)18-6-4-5-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyOLELCGRJGIMQNC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.44
Rot. Bonds7

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

3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50822430) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50822430
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-16(2)11-14-24-22(27)23(12-13-23)19-7-9-20(10-8-19)25-21(26)18-6-4-5-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyOLELCGRJGIMQNC-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
CID 46384080
N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide
CID 50821467
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50822430) is 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is OLELCGRJGIMQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)11-14-24-22(27)23(12-13-23)19-7-9-20(10-8-19)25-21(26)18-6-4-5-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide?
3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50822430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).