N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide

C17H25NO2 — CID 62526492

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2(CO)CCCC(C)C2)c1
InChIInChI=1S/C17H25NO2/c1-12-6-7-14(3)15(9-12)16(20)18-17(11-19)8-4-5-13(2)10-17/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChIKeyMHADTKICXUGQPA-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide (PubChem CID 62526492) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
PubChem CID62526492
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2(CO)CCCC(C)C2)c1
InChIInChI=1S/C17H25NO2/c1-12-6-7-14(3)15(9-12)16(20)18-17(11-19)8-4-5-13(2)10-17/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChIKeyMHADTKICXUGQPA-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
2-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-5-methylbenzamide
CID 114314843
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 62527090
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide (CID 62526492) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2(CO)CCCC(C)C2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide?
The InChIKey is MHADTKICXUGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-6-7-14(3)15(9-12)16(20)18-17(11-19)8-4-5-13(2)10-17/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide has a molecular weight of 275.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 62526492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).