2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide

C26H26N2O2 — CID 50821534

IUPAC2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N2O2/c1-19-7-5-6-10-23(19)24(29)28-22-13-11-21(12-14-22)26(16-17-26)25(30)27-18-15-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,27,30)(H,28,29)
InChIKeyJIEKRRWQDWZLHT-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.64
Rot. Bonds7

About 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide

2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821534) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821534
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N2O2/c1-19-7-5-6-10-23(19)24(29)28-22-13-11-21(12-14-22)26(16-17-26)25(30)27-18-15-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,27,30)(H,28,29)
InChIKeyJIEKRRWQDWZLHT-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821422
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 20972775
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821534) is 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is JIEKRRWQDWZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-7-5-6-10-23(19)24(29)28-22-13-11-21(12-14-22)26(16-17-26)25(30)27-18-15-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).