N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide

C23H30N2O — CID 18158678

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C23H30N2O/c1-3-18-13-15-19(16-14-18)23(26)24-22-12-8-7-9-20(22)17-25(2)21-10-5-4-6-11-21/h7-9,12-16,21H,3-6,10-11,17H2,1-2H3,(H,24,26)
InChIKeyYZSRNWCZNINTJU-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.27
Rot. Bonds6

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide (PubChem CID 18158678) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
PubChem CID18158678
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C23H30N2O/c1-3-18-13-15-19(16-14-18)23(26)24-22-12-8-7-9-20(22)17-25(2)21-10-5-4-6-11-21/h7-9,12-16,21H,3-6,10-11,17H2,1-2H3,(H,24,26)
InChIKeyYZSRNWCZNINTJU-UHFFFAOYSA-N
XLogP5.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 46448626
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 17452883
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112822635
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 31030404
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide (CID 18158678) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide?
The InChIKey is YZSRNWCZNINTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-18-13-15-19(16-14-18)23(26)24-22-12-8-7-9-20(22)17-25(2)21-10-5-4-6-11-21/h7-9,12-16,21H,3-6,10-11,17H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide has a molecular weight of 350.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 18158678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).