N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide

C23H29NO — CID 21307110

IUPACN,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
SMILESCc1cccc(C2(c3ccc(C(=O)N(C)C)cc3)CCC(C)CC2)c1
InChIInChI=1S/C23H29NO/c1-17-12-14-23(15-13-17,21-7-5-6-18(2)16-21)20-10-8-19(9-11-20)22(25)24(3)4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyFGOLJIKZVYYFAF-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.19
Rot. Bonds3

About N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide

N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide (PubChem CID 21307110) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
PubChem CID21307110
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC NameN,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
SMILESCc1cccc(C2(c3ccc(C(=O)N(C)C)cc3)CCC(C)CC2)c1
InChIInChI=1S/C23H29NO/c1-17-12-14-23(15-13-17,21-7-5-6-18(2)16-21)20-10-8-19(9-11-20)22(25)24(3)4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyFGOLJIKZVYYFAF-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane
CID 91014030
3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide
CID 21307091
ethane;methyl 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzoate
CID 90914269
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
CID 109416271
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
CID 22420628
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
2-methyl-4-[3-methyl-1-(3-methylphenyl)cyclohexyl]benzonitrile
CID 144517727
N,N-dimethyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43725406
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide (CID 21307110) is N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide is Cc1cccc(C2(c3ccc(C(=O)N(C)C)cc3)CCC(C)CC2)c1.
What is the InChIKey of N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide?
The InChIKey is FGOLJIKZVYYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-17-12-14-23(15-13-17,21-7-5-6-18(2)16-21)20-10-8-19(9-11-20)22(25)24(3)4/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide?
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide has a molecular weight of 335.49 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide is sourced from PubChem (CID 21307110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).