N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide

C24H29N3O — CID 176985927

IUPACN-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2CCC(N(C)c3ccc(C#N)c(C)c3)CC2)cc1
InChIInChI=1S/C24H29N3O/c1-4-18-5-7-19(8-6-18)24(28)26-21-10-13-22(14-11-21)27(3)23-12-9-20(16-25)17(2)15-23/h5-9,12,15,21-22H,4,10-11,13-14H2,1-3H3,(H,26,28)
InChIKeyDCCLUPRTMLKSGR-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.61
Rot. Bonds5

About N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide

N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide (PubChem CID 176985927) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
PubChem CID176985927
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2CCC(N(C)c3ccc(C#N)c(C)c3)CC2)cc1
InChIInChI=1S/C24H29N3O/c1-4-18-5-7-19(8-6-18)24(28)26-21-10-13-22(14-11-21)27(3)23-12-9-20(16-25)17(2)15-23/h5-9,12,15,21-22H,4,10-11,13-14H2,1-3H3,(H,26,28)
InChIKeyDCCLUPRTMLKSGR-UHFFFAOYSA-N
XLogP4.61
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
CID 176985665
4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide
CID 174171949
N-[3-(dimethylamino)cyclopentyl]-4-ethylbenzamide
CID 75396929
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 154840868
N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287051
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985777
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 176986276
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 30797400
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 33342779
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide?
The IUPAC name of N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide (CID 176985927) is N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide is CCc1ccc(C(=O)NC2CCC(N(C)c3ccc(C#N)c(C)c3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide?
The InChIKey is DCCLUPRTMLKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-18-5-7-19(8-6-18)24(28)26-21-10-13-22(14-11-21)27(3)23-12-9-20(16-25)17(2)15-23/h5-9,12,15,21-22H,4,10-11,13-14H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide?
N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide has a molecular weight of 375.52 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide is sourced from PubChem (CID 176985927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).