N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide

C23H29NO2 — CID 11156012

IUPACN-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1c(C)cccc1CC1(O)CCCCC1
InChIInChI=1S/C23H29NO2/c1-17-10-5-6-13-20(17)22(25)24(3)21-18(2)11-9-12-19(21)16-23(26)14-7-4-8-15-23/h5-6,9-13,26H,4,7-8,14-16H2,1-3H3
InChIKeyUZUDVMWSGUOKPI-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.82
Rot. Bonds4

About N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide

N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide (PubChem CID 11156012) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide
PubChem CID11156012
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1c(C)cccc1CC1(O)CCCCC1
InChIInChI=1S/C23H29NO2/c1-17-10-5-6-13-20(17)22(25)24(3)21-18(2)11-9-12-19(21)16-23(26)14-7-4-8-15-23/h5-6,9-13,26H,4,7-8,14-16H2,1-3H3
InChIKeyUZUDVMWSGUOKPI-UHFFFAOYSA-N
XLogP4.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
CID 10609086
N,2-dimethyl-N-phenylbenzamide
CID 5222383
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide (CID 11156012) is N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)c1c(C)cccc1CC1(O)CCCCC1.
What is the InChIKey of N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide?
The InChIKey is UZUDVMWSGUOKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17-10-5-6-13-20(17)22(25)24(3)21-18(2)11-9-12-19(21)16-23(26)14-7-4-8-15-23/h5-6,9-13,26H,4,7-8,14-16H2,1-3H3.
What are the key properties of N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide?
N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 11156012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).