N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide

C21H24N2O2 — CID 46384112

IUPACN-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CCC1
InChIInChI=1S/C21H24N2O2/c1-3-22-20(25)21(13-4-14-21)17-9-11-18(12-10-17)23-19(24)16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySWJDWRLKGDPDBO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds5

About N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide

N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide (PubChem CID 46384112) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
PubChem CID46384112
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CCC1
InChIInChI=1S/C21H24N2O2/c1-3-22-20(25)21(13-4-14-21)17-9-11-18(12-10-17)23-19(24)16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySWJDWRLKGDPDBO-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
CID 46384080
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide (CID 46384112) is N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide is CCNC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CCC1.
What is the InChIKey of N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide?
The InChIKey is SWJDWRLKGDPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-22-20(25)21(13-4-14-21)17-9-11-18(12-10-17)23-19(24)16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide?
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 46384112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).