4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide

C17H25NO3 — CID 109416271

IUPAC4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
SMILESCC1CCC(O)(COc2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C17H25NO3/c1-13-8-10-17(20,11-9-13)12-21-15-6-4-14(5-7-15)16(19)18(2)3/h4-7,13,20H,8-12H2,1-3H3
InChIKeyAPFORAHPWMKCBQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.71
Rot. Bonds4

About 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide

4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide (PubChem CID 109416271) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
PubChem CID109416271
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
SMILESCC1CCC(O)(COc2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C17H25NO3/c1-13-8-10-17(20,11-9-13)12-21-15-6-4-14(5-7-15)16(19)18(2)3/h4-7,13,20H,8-12H2,1-3H3
InChIKeyAPFORAHPWMKCBQ-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497097
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 167976497
4-hydroxy-4-[(4-iodophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497411
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
CID 21307110

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide (CID 109416271) is 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide is CC1CCC(O)(COc2ccc(C(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide?
The InChIKey is APFORAHPWMKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-8-10-17(20,11-9-13)12-21-15-6-4-14(5-7-15)16(19)18(2)3/h4-7,13,20H,8-12H2,1-3H3.
What are the key properties of 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide?
4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 109416271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).