N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide

C25H30N2O2 — CID 50821467

IUPACN-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C25H30N2O2/c1-18-6-5-9-20(16-18)23(28)27-22-12-10-21(11-13-22)25(14-15-25)24(29)26-17-19-7-3-2-4-8-19/h5-6,9-13,16,19H,2-4,7-8,14-15,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyXPAXCEZUKUUDBS-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide

N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide (PubChem CID 50821467) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide
PubChem CID50821467
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C25H30N2O2/c1-18-6-5-9-20(16-18)23(28)27-22-12-10-21(11-13-22)25(14-15-25)24(29)26-17-19-7-3-2-4-8-19/h5-6,9-13,16,19H,2-4,7-8,14-15,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyXPAXCEZUKUUDBS-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
CID 46384080
3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50822430
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide (CID 50821467) is N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1.
What is the InChIKey of N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide?
The InChIKey is XPAXCEZUKUUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-6-5-9-20(16-18)23(28)27-22-12-10-21(11-13-22)25(14-15-25)24(29)26-17-19-7-3-2-4-8-19/h5-6,9-13,16,19H,2-4,7-8,14-15,17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide?
N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 50821467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).